57390810 -OEChem-03192400122D 53 56 0 1 0 0 0 0 0999 V2000 2.1810 6.7383 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 2.8762 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 1.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -6.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -6.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -1.6183 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7567 0.3817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 2.2181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -0.1183 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4888 0.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -3.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -3.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 1.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -4.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7692 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -5.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 4.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 4.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 5.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 5.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 0.5017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8873 0.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0902 0.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -1.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4107 -1.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9654 -0.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5668 0.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5668 -1.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9654 -1.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2198 0.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 -2.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -2.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 -4.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -4.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1628 0.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 -0.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 0.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 3.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 4.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -6.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 5.0806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 6.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 25 1 0 0 0 0 4 51 1 0 0 0 0 5 25 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 41 1 0 0 0 0 8 22 1 0 0 0 0 8 23 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 10 12 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 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 17 20 2 0 0 0 0 17 43 1 0 0 0 0 18 22 2 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 M END > 57390810 > 1 > 638 > 6 > 2 > 5 > AAADceB7MABEAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHgYQCAAADCrB3iQyyZPIEgisAyXyXACC8KBlDzgImLU4btgIZrrh15GUcYhk1gHo2ceY2SOeDAAAAAAAAAAYAAAAAAAAAAAAAAAAAA== > 4-[3-[[2-(4-chlorophenyl)-4-methyl-thiazole-5-carbonyl]amino]-1-piperidyl]benzoic acid > 4-[3-[[[2-(4-chlorophenyl)-4-methyl-5-thiazolyl]-oxomethyl]amino]-1-piperidinyl]benzoic acid > 4-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]piperidin-1-yl]benzoic acid > 4-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]piperidin-1-yl]benzoic acid > 4-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]piperidin-1-yl]benzoic acid > 4-[3-[[2-(4-chlorophenyl)-4-methyl-thiazole-5-carbonyl]amino]piperidino]benzoic acid > InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-4-8-17(24)9-5-15)21(28)26-18-3-2-12-27(13-18)19-10-6-16(7-11-19)23(29)30/h4-11,18H,2-3,12-13H2,1H3,(H,26,28)(H,29,30) > BGLKZWJZFRTBQC-UHFFFAOYSA-N > 5.2 > 455.1070404 > C23H22ClN3O3S > 456.0 > CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NC3CCCN(C3)C4=CC=C(C=C4)C(=O)O > CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NC3CCCN(C3)C4=CC=C(C=C4)C(=O)O > 111 > 455.1070404 > 0 > 31 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 17 8 16 19 8 17 20 8 18 22 8 19 21 8 2 18 8 2 23 8 20 21 8 26 27 8 26 28 8 27 29 8 28 30 8 29 31 8 30 31 8 9 7 3 8 22 8 8 23 8 $$$$