46931204 -OEChem-03292401072D 52 55 0 1 0 0 0 0 0999 V2000 8.3074 -0.2402 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3074 -0.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3074 -0.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3074 -1.2402 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8042 -2.1880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0674 0.7252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4984 -1.8279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8074 -2.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1165 -1.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 -2.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3074 0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1735 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4414 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1735 2.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4414 2.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3074 2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -2.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0674 2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -2.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9735 1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9735 2.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4014 -1.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 -2.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 -3.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6829 -2.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4265 -1.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7426 -3.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4139 -2.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9331 -2.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9045 0.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9045 2.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3074 3.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2389 -3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0602 3.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 0.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 -2.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5092 0.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8033 -0.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 0.1831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 0.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5092 2.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -0.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -1.5416 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 5 1 0 0 0 0 1 13 1 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 37 1 0 0 0 0 7 14 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 1 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 20 27 1 0 0 0 0 21 24 2 0 0 0 0 21 41 1 0 0 0 0 22 28 2 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END > 46931204 > 1 > 692 > 5 > 1 > 4 > AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgQQQAAADCjB3gQ+wfLIEAKoAzV3VHDCgDAxAiAI2D24ZJgIYPLAkbGUIAhglADIyAcYgcAOCAACgAACAQAQAAUAAAQCAAAAAAAAAA== > (2S)-N-(2,4-dimethylphenyl)-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide > (2S)-N-(2,4-dimethylphenyl)-1-(8-quinolinylsulfonyl)-2-pyrrolidinecarboxamide > (2S)-N-(2,4-dimethylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide > (2S)-N-(2,4-dimethylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide > (2S)-N-(2,4-dimethylphenyl)-1-quinolin-8-ylsulfonyl-pyrrolidine-2-carboxamide > (2S)-N-(2,4-dimethylphenyl)-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide > InChI=1S/C22H23N3O3S/c1-15-10-11-18(16(2)14-15)24-22(26)19-8-5-13-25(19)29(27,28)20-9-3-6-17-7-4-12-23-21(17)20/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3,(H,24,26)/t19-/m0/s1 > DWDDBDJWOXJEMQ-IBGZPJMESA-N > 3.5 > 409.14601278 > C22H23N3O3S > 409.5 > CC1=CC(=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C > CC1=CC(=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C > 87.8 > 409.14601278 > 0 > 29 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 14 8 13 15 8 14 17 8 15 18 8 16 20 8 16 21 8 17 19 8 17 22 8 18 19 8 20 23 8 21 24 8 22 28 8 23 25 8 24 25 8 26 28 8 7 14 8 7 26 8 8 12 5 $$$$