53206952 -OEChem-04192416322D 67 70 0 0 0 0 0 0 0999 V2000 10.9077 -2.3720 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4738 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3416 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8416 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8516 -0.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4077 -0.1814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -1.8028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3346 -1.7224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7842 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0068 -1.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8087 -1.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0312 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9739 0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4077 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7937 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0247 -1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2565 -2.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5372 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5612 -2.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0217 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 -1.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -2.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4714 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5589 -2.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7907 -1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5344 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1033 2.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0977 2.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 3.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6638 3.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0949 2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 1.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4705 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6628 -0.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3991 -3.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 -2.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3595 -2.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1373 -2.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4163 -3.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 -0.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8874 -1.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1527 -0.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 -3.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 -2.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0907 -0.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5508 -0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 -2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0118 -2.7825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3825 -1.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8034 0.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4850 2.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -1.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -1.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -2.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 0.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9252 -0.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3319 -1.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 3.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0131 3.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0486 1.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7132 2.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 2.8408 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 10 1 0 0 0 0 1 11 1 0 0 0 0 4 14 2 0 0 0 0 5 24 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 20 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 22 1 0 0 0 0 8 24 1 0 0 0 0 8 52 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 14 1 0 0 0 0 12 23 2 0 0 0 0 13 19 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 41 1 0 0 0 0 19 29 1 0 0 0 0 19 30 2 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 27 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 28 1 0 0 0 0 23 47 1 0 0 0 0 25 32 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 33 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 31 2 0 0 0 0 29 55 1 0 0 0 0 30 34 1 0 0 0 0 30 56 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 2 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 M END > 53206952 > 1 > 869 > 5 > 1 > 8 > AAADceB7OABAAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABUAAAHgQQAAAADAjB2AQywYPAAAqIAiVSUHDCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcciECOEAACQAAEAQAgAASAAAgCAAAAAAAAAA== > N-[2-(diethylamino)ethyl]-5-(m-tolylmethyl)-6,11,11-trioxo-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methyl]-6,11,11-trioxo-3-benzo[b][1,4]benzothiazepinecarboxamide > N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methyl]-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-(diethylamino)ethyl]-6,11,11-triketo-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C28H31N3O4S/c1-4-30(5-2)16-15-29-27(32)22-13-14-26-24(18-22)31(19-21-10-8-9-20(3)17-21)28(33)23-11-6-7-12-25(23)36(26,34)35/h6-14,17-18H,4-5,15-16,19H2,1-3H3,(H,29,32) > ACLRNCZGMBKVMZ-UHFFFAOYSA-N > 3.7 > 505.20352765 > C28H31N3O4S > 505.6 > CCN(CC)CCNC(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C(=O)N2CC4=CC=CC(=C4)C > CCN(CC)CCNC(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C(=O)N2CC4=CC=CC(=C4)C > 95.2 > 505.20352765 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 8 11 12 8 11 21 8 12 23 8 15 17 8 16 18 8 17 18 8 19 29 8 19 30 8 21 27 8 23 28 8 27 28 8 29 31 8 30 34 8 31 35 8 34 35 8 9 10 8 9 15 8 $$$$