53347931 -OEChem-05142411412D 63 65 0 1 0 0 0 0 0999 V2000 7.7848 4.5778 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4072 5.9845 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 10.0527 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 10.4187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 11.7847 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7848 4.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7848 4.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 4.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 0.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6613 10.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7953 12.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 5.5778 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1868 6.0778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2162 4.5832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1868 1.0778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9188 6.0778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9188 7.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 7.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6509 6.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6509 7.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 5.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 3.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9188 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6509 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 5.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9188 2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6509 2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 4.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 5.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4191 2.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 3.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0124 1.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 2.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0179 1.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 10.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7953 11.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9188 5.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7068 7.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3082 6.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1834 8.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3863 8.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8629 5.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2615 6.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2615 6.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8629 7.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1868 6.6978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3819 3.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1878 3.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1878 1.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 0.9577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 5.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 2.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 3.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 2.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 1.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6814 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 11.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 25 1 0 0 0 0 2 30 1 0 0 0 0 3 39 1 0 0 0 0 4 39 1 0 0 0 0 5 39 1 0 0 0 0 8 21 2 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 40 1 0 0 0 0 10 63 1 0 0 0 0 11 40 2 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 13 21 1 0 0 0 0 13 25 1 0 0 0 0 13 50 1 0 0 0 0 14 25 2 0 0 0 0 14 29 1 0 0 0 0 15 31 3 0 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 26 28 1 0 0 0 0 26 31 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 30 2 0 0 0 0 29 32 1 0 0 0 0 30 55 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 56 1 0 0 0 0 34 36 2 0 0 0 0 34 57 1 0 0 0 0 35 37 2 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 39 40 1 0 0 0 0 M END > 53347931 > 1 > 915 > 13 > 2 > 6 > AAADceB7uYBgAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHwQQSAAADCzF3hazn5LIFgq8ByXyfHDi+LlhKjkJiD2+LJiM5rKkuTuUMChs0ROIqC+Y2IMOIAAAgAAAAABAAAEAAAAAAAAAAAAAAA== > (2R)-1-(3-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid > (2R)-1-(3-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-piperidinecarboxamide;2,2,2-trifluoroacetic acid > (2R)-1-(3-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid > (2R)-1-(3-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid > (2R)-1-(3-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid > (2R)-1-(3-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)thiazol-2-yl]pipecolinamide;2,2,2-trifluoroacetic acid > InChI=1S/C23H22N4O4S2.C2HF3O2/c1-31-18-10-8-17(9-11-18)20-15-32-23(25-20)26-22(28)21-7-2-3-12-27(21)33(29,30)19-6-4-5-16(13-19)14-24;3-2(4,5)1(6)7/h4-6,8-11,13,15,21H,2-3,7,12H2,1H3,(H,25,26,28);(H,6,7)/t21-;/m1./s1 > ZZPKOISNKRKAPA-ZMBIFBSDSA-N > 596.10111130 > C25H23F3N4O6S2 > 596.6 > COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC(=C4)C#N.C(=O)(C(F)(F)F)O > COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CCCCN3S(=O)(=O)C4=CC=CC(=C4)C#N.C(=O)(C(F)(F)F)O > 186 > 596.10111130 > 0 > 40 > 1 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 14 25 8 14 29 8 16 21 5 2 25 8 2 30 8 22 23 8 22 24 8 23 26 8 24 27 8 26 28 8 27 28 8 29 30 8 32 33 8 32 34 8 33 35 8 34 36 8 35 37 8 36 37 8 $$$$