16149579 -OEChem-05092417062D 90123 0 1 0 0 0 0 0999 V2000 6.7592 -1.3638 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7863 -1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 -2.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6994 -0.3655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2922 0.2233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6879 0.9985 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3114 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6879 0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9006 0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0644 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9126 1.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6811 1.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2869 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8709 -0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1879 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7980 2.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9585 -1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3600 2.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5530 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 -1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1634 3.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6746 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8886 -2.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9408 0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 -1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 -2.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4906 2.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9502 -2.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4892 4.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6813 -2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5452 0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 -3.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8603 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6165 -3.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3476 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8555 -3.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7764 3.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8044 -1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 0.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 -4.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5578 5.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3556 -2.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1046 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6139 -4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3003 4.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 -4.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0516 -0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5060 -5.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1341 4.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -3.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5315 2.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6725 -5.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 5.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0795 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5782 -5.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0716 5.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5951 -5.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5719 -5.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 0.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 1.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -1.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4476 -2.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2507 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1683 -3.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9713 -3.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5642 -0.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3525 1.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 -0.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6236 0.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6457 -0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 -3.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5508 -0.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1796 -4.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8517 -1.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6018 -4.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4692 -4.1168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3408 -3.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 71 1 0 0 0 0 4 69 1 0 0 0 0 4 70 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 67 1 0 0 0 0 5 78 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 68 1 0 0 0 0 6 79 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 11 19 1 0 0 0 0 12 18 2 0 0 0 0 12 20 1 0 0 0 0 13 18 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 2 0 0 0 0 21 32 1 0 0 0 0 22 30 2 0 0 0 0 22 31 1 0 0 0 0 23 31 2 0 0 0 0 23 33 1 0 0 0 0 24 32 2 0 0 0 0 24 34 1 0 0 0 0 25 29 1 0 0 0 0 25 35 2 0 0 0 0 26 30 1 0 0 0 0 26 36 2 0 0 0 0 27 33 2 0 0 0 0 27 37 1 0 0 0 0 28 34 2 0 0 0 0 28 38 1 0 0 0 0 29 39 1 0 0 0 0 30 40 1 0 0 0 0 31 43 1 0 0 0 0 32 44 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 37 1 0 0 0 0 35 45 1 0 0 0 0 36 38 1 0 0 0 0 36 46 1 0 0 0 0 37 47 2 0 0 0 0 38 48 2 0 0 0 0 39 45 2 0 0 0 0 39 50 1 0 0 0 0 40 46 2 0 0 0 0 40 49 1 0 0 0 0 41 47 1 0 0 0 0 41 51 2 0 0 0 0 42 48 1 0 0 0 0 42 52 2 0 0 0 0 43 49 2 0 0 0 0 43 51 1 0 0 0 0 44 50 2 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 47 55 1 0 0 0 0 48 56 1 0 0 0 0 49 57 1 0 0 0 0 50 58 1 0 0 0 0 51 59 1 0 0 0 0 52 60 1 0 0 0 0 53 55 2 0 0 0 0 53 62 1 0 0 0 0 54 56 2 0 0 0 0 54 61 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 0 0 0 0 57 59 1 0 0 0 0 57 61 2 0 0 0 0 58 60 1 0 0 0 0 58 62 2 0 0 0 0 59 63 2 0 0 0 0 60 64 2 0 0 0 0 61 66 1 0 0 0 0 62 65 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 66 2 0 0 0 0 67 68 2 0 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 69 80 1 0 0 0 0 69 81 1 0 0 0 0 70 82 1 0 0 0 0 70 83 1 0 0 0 0 71 72 2 0 0 0 0 71 73 1 0 0 0 0 72 74 1 0 0 0 0 72 84 1 0 0 0 0 73 75 2 0 0 0 0 73 85 1 0 0 0 0 74 76 2 0 0 0 0 74 86 1 0 0 0 0 75 76 1 0 0 0 0 75 87 1 0 0 0 0 76 77 1 0 0 0 0 77 88 1 0 0 0 0 77 89 1 0 0 0 0 77 90 1 0 0 0 0 M END > 16149579 > 1 > 5410 > 3 > 0 > 2 > AAADccB+MABAAAAAAAAAAAAAAAAAAQIECBAwYMECBAgAAEABUAAAHAQAQAAADQDBWAQyAcIAAAKAAiBCAHDCABAgAAAIiBgIAIgIICKAkRCEIAAggACIiAcQgMAO0AACAAAQAACgAAQAACAAAAAAAAAAAA== > InChI=1S/C73H13NO2S/c1-8-2-4-9(5-3-8)77(75,76)74-6-10-11(7-74)13-15-14-12(10)16-20-25-19(15)27-23-17(13)21-24-18(14)26-22(16)30-36-28(20)38-33(25)43-35(27)45-41-31(23)37-29(21)39-32(24)42-34(26)44-40(30)50-46(36)56-48(38)58-53(43)55(45)63-61-51(41)47(37)57-49(39)59-52(42)54(44)62-60(50)68-64(56)66(58)71(63)73-69(61)65(57)67(59)70(62)72(68)73/h2-5,12-13H,6-7H2,1H3 > DZVRYKKZAVOMDD-UHFFFAOYSA-N > 17.2 > 967.06669983 > C73H13NO2S > 968.0 > CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C4C5=C6C3C7=C8C9=C5C1=C2C4=C3C4=C6C5=C7C6=C7C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C2C%16=C3C%14=C4C%12=C5%10)C2=C3C4=C5C%10=C%12C(=C7C7=C%11C%11=C%13C%15=C%13C%17=C3C3=C5C%12=C7C%11=C%133)C6=C8C%10=C9C4=C12 > CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C4C5=C6C3C7=C8C9=C5C1=C2C4=C3C4=C6C5=C7C6=C7C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C2C%16=C3C%14=C4C%12=C5%10)C2=C3C4=C5C%10=C%12C(=C7C7=C%11C%11=C%13C%15=C%13C%17=C3C3=C5C%12=C7C%11=C%133)C6=C8C%10=C9C4=C12 > 45.8 > 967.06669983 > 0 > 77 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 16 8 11 17 8 11 19 8 12 18 8 12 20 8 13 18 8 13 21 8 14 17 8 14 22 8 15 19 8 15 25 8 16 20 8 16 26 8 17 23 8 18 24 8 19 27 8 20 28 8 21 29 8 21 32 8 22 30 8 22 31 8 23 31 8 23 33 8 24 32 8 24 34 8 25 29 8 25 35 8 26 30 8 26 36 8 27 33 8 27 37 8 28 34 8 28 38 8 29 39 8 30 40 8 31 43 8 32 44 8 33 41 8 34 42 8 35 37 8 35 45 8 36 38 8 36 46 8 37 47 8 38 48 8 39 45 8 39 50 8 40 46 8 40 49 8 41 47 8 41 51 8 42 48 8 42 52 8 43 49 8 43 51 8 44 50 8 44 52 8 45 53 8 46 54 8 47 55 8 48 56 8 49 57 8 5 9 3 50 58 8 51 59 8 52 60 8 53 55 8 53 62 8 54 56 8 54 61 8 55 63 8 56 64 8 57 59 8 57 61 8 58 60 8 58 62 8 59 63 8 6 10 3 60 64 8 61 66 8 62 65 8 63 65 8 64 66 8 65 66 8 7 11 8 7 8 8 71 72 8 71 73 8 72 74 8 73 75 8 74 76 8 75 76 8 8 12 8 9 13 8 9 15 8 $$$$