54654968 -OEChem-04262412482D 67 70 0 1 0 0 0 0 0999 V2000 19.2783 -1.6992 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.8065 0.2874 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -1.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 -1.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9500 1.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 0.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3031 1.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3098 -0.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5673 0.9670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9385 0.7841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8602 -0.7401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9663 0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.7609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5673 -1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1846 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2744 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2744 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1684 0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1684 -1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0744 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0744 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6744 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5385 0.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6783 -1.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4065 -0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5462 -1.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4103 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7558 1.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7558 -1.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3709 1.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5726 1.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4494 0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0638 -1.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0304 -1.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7278 -2.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7994 -1.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5965 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7574 2.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9474 2.4637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 1.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1612 1.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1612 -1.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 -1.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6102 -1.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 -0.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -0.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9361 1.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -1.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -1.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5361 0.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1425 -1.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -0.7485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9422 0.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5486 -2.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 2 31 1 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 5 20 2 0 0 0 0 6 24 2 0 0 0 0 7 30 1 0 0 0 0 7 34 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 24 1 0 0 0 0 11 29 1 0 0 0 0 11 54 1 0 0 0 0 12 27 1 0 0 0 0 12 58 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 1 0 0 0 14 18 1 0 0 0 0 14 39 1 1 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 6 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 24 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 32 61 1 0 0 0 0 33 36 2 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 37 2 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 M END > 54654968 > 1 > 893 > 8 > 2 > 8 > AAADceB7OABEAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAWAAABQAAAHgYQQAAADD7h2CYyx4PABAKIAiVSUHDCCBAkJwAIiJkObsgPJjaFt5uHOWjm9hGa6Ye8yKCOAEIAQAAIAAAAhACAABAAAAAAAAAAAA== > 2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide > 2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide > 2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide > 2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide > 2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)ethanamide > 2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide > InChI=1S/C25H30ClN3O7S/c1-29-21-9-6-18(14-24(30)27-11-12-34-2)36-23(21)15-35-22-10-5-17(13-20(22)25(29)31)28-37(32,33)19-7-3-16(26)4-8-19/h3-5,7-8,10,13,18,21,23,28H,6,9,11-12,14-15H2,1-2H3,(H,27,30)/t18-,21-,23-/m0/s1 > LXVVTJIZWLYICJ-HARLFGEKSA-N > 1.9 > 551.1492992 > C25H30ClN3O7S > 552.0 > CN1C2CCC(OC2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)CC(=O)NCCOC > CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)CC(=O)NCCOC > 132 > 551.1492992 > 0 > 37 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 38 5 14 39 5 17 19 6 22 23 8 22 25 8 23 26 8 25 27 8 26 28 8 27 28 8 31 32 8 31 33 8 32 35 8 33 36 8 35 37 8 36 37 8 $$$$