53206954 -OEChem-04192419552D 71 75 0 1 0 0 0 0 0999 V2000 11.1265 -2.3720 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 -0.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6926 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5604 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0604 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -1.8028 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5534 -1.7224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6265 -0.1814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -0.8270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7357 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 -2.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -2.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0030 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2255 -1.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2891 -1.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2435 -1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0274 -1.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1926 0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6265 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 -2.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7559 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7800 -2.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7777 -2.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0095 -1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7531 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3221 2.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3165 2.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8854 3.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8826 3.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3137 2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -1.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 0.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -0.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -3.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -2.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 -0.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -1.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5994 -2.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 -2.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -2.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 -2.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8457 -0.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8819 0.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0058 0.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 -0.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1062 -1.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 -2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8815 -0.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7488 1.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6892 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6179 -3.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0224 -2.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6350 -3.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3715 -0.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2306 -2.7825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6012 -1.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0221 0.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7038 2.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6164 3.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2319 3.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2673 1.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9319 2.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 19 2 0 0 0 0 5 25 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 55 1 0 0 0 0 8 17 1 0 0 0 0 8 23 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 29 2 0 0 0 0 23 28 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 30 2 0 0 0 0 26 27 2 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 28 33 1 0 0 0 0 28 34 2 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 37 2 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 M END > 53206954 > 1 > 950 > 5 > 1 > 6 > AAADcfB7OABAAAAAAAAAAAAAAAAAAAAAAAA8YMEABYAAAAABUAAAHgQQAAAADCjB2AQywYPAAAqIAiVSUHDCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcciECOEAACQAAEAQAgAASAAAgCAAAAAAAAAA== > N-[2-(2-methyl-1-piperidyl)ethyl]-5-(m-tolylmethyl)-6,11,11-trioxo-benzo[b][1,4]benzothiazepine-3-carboxamide > 5-[(3-methylphenyl)methyl]-N-[2-(2-methyl-1-piperidinyl)ethyl]-6,11,11-trioxo-3-benzo[b][1,4]benzothiazepinecarboxamide > 5-[(3-methylphenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide > 5-[(3-methylphenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide > 5-[(3-methylphenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide > 6,11,11-triketo-5-(3-methylbenzyl)-N-[2-(2-methylpiperidino)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C30H33N3O4S/c1-21-8-7-10-23(18-21)20-33-26-19-24(29(34)31-15-17-32-16-6-5-9-22(32)2)13-14-28(26)38(36,37)27-12-4-3-11-25(27)30(33)35/h3-4,7-8,10-14,18-19,22H,5-6,9,15-17,20H2,1-2H3,(H,31,34) > WTCCISVNQFBUIV-UHFFFAOYSA-N > 4.3 > 531.21917772 > C30H33N3O4S > 531.7 > CC1CCCCN1CCNC(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC(=C5)C > CC1CCCCN1CCNC(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC(=C5)C > 95.2 > 531.21917772 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 18 8 17 21 8 18 26 8 20 21 8 20 27 8 22 24 8 22 29 8 24 30 8 26 27 8 28 33 8 28 34 8 29 31 8 30 32 8 31 32 8 33 35 8 34 36 8 35 37 8 36 37 8 9 15 3 $$$$