60158824 -OEChem-05112405542D 67 72 0 1 0 0 0 0 0999 V2000 5.8584 -0.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 -5.1137 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.1103 4.3505 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.0112 5.2404 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2203 3.2514 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7822 -2.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 0.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9345 0.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7822 0.2118 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5976 -3.5224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7309 2.9143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5618 1.3051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2309 2.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 -1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7061 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -2.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9839 -4.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 -3.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8584 -2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7822 1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0888 -1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2371 -2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 -5.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 -0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 -1.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7061 -2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6483 1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1193 -0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3274 -2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7528 2.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7598 -1.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3612 -2.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1377 3.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1322 3.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5389 4.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7200 3.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 4.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5335 4.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7145 3.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1158 4.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -0.0899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 0.4439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -4.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 -4.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7899 -2.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 -3.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5702 1.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1717 1.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 -3.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 -5.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5794 -3.7359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -4.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2146 -0.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 -1.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3499 -0.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0835 -3.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 3.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3741 -1.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7367 -3.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 4.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5361 3.9778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1745 5.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4678 2.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7856 5.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0789 2.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 41 1 0 0 0 0 4 41 1 0 0 0 0 5 41 1 0 0 0 0 6 19 1 0 0 0 0 6 27 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 14 19 2 0 0 0 0 14 25 1 0 0 0 0 15 21 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 22 2 0 0 0 0 16 26 1 0 0 0 0 17 23 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 24 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 22 1 0 0 0 0 20 28 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 27 1 0 0 0 0 21 29 2 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 27 30 2 0 0 0 0 28 31 2 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 39 1 0 0 0 0 36 64 1 0 0 0 0 37 40 2 0 0 0 0 37 65 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 M END > 60158824 > 1 > 972 > 11 > 0 > 5 > AAADceB7sYBgAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAWAAAB1AAAHwQIQAAADAzF3hS8x5MIBAqiAzRnRHDCDBQxshAY2Bo+fIgMZiLE8ZuWOCjmwBno6AeQ0CMOQAQAAgAIIACACAAEABBAAAAAAAAAAA== > 7-thiomorpholino-11-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide > 7-thiomorpholin-4-yl-11-[[1-[[4-(trifluoromethyl)phenyl]methyl]-4-triazolyl]methyl]-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide > 7-thiomorpholin-4-yl-11-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide > 7-thiomorpholin-4-yl-11-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide > 7-thiomorpholin-4-yl-11-[[1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3-triazol-4-yl]methyl]-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide > 7-thiomorpholino-11-[[1-[4-(trifluoromethyl)benzyl]triazol-4-yl]methyl]-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide > InChI=1S/C28H26F3N5O3S2/c29-28(30,31)22-7-5-20(6-8-22)16-35-18-23(32-33-35)19-36-17-21-3-1-2-4-25(21)39-26-15-24(34-11-13-40-14-12-34)9-10-27(26)41(36,37)38/h1-10,15,18H,11-14,16-17,19H2 > PJYQVMCBQYTJAI-UHFFFAOYSA-N > 4.5 > 601.14291654 > C28H26F3N5O3S2 > 601.7 > C1CSCCN1C2=CC3=C(C=C2)S(=O)(=O)N(CC4=CC=CC=C4O3)CC5=CN(N=N5)CC6=CC=C(C=C6)C(F)(F)F > C1CSCCN1C2=CC3=C(C=C2)S(=O)(=O)N(CC4=CC=CC=C4O3)CC5=CN(N=N5)CC6=CC=C(C=C6)C(F)(F)F > 114 > 601.14291654 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 8 11 31 8 12 13 8 12 28 8 14 19 8 14 25 8 16 22 8 16 26 8 19 22 8 21 27 8 21 29 8 25 26 8 27 30 8 28 31 8 29 32 8 30 33 8 32 33 8 35 36 8 35 37 8 36 39 8 37 40 8 38 39 8 38 40 8 $$$$