67409728 -OEChem-05072406052D 64 66 0 1 0 0 0 0 0999 V2000 9.7942 -0.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -4.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 -4.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5950 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 3.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 4.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 7 18 2 0 0 0 0 8 19 2 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 11 44 1 0 0 0 0 12 21 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 32 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 1 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 21 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 27 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 28 2 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 29 33 1 0 0 0 0 29 55 1 0 0 0 0 30 34 2 0 0 0 0 30 56 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 M END > 67409728 > 1 > 864 > 10 > 2 > 7 > AAADceB7uYBAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHwQQQAAADCjB2BQywYPAAAKIAiVSUHDCABAhAgAIiJmIZIgIYCrA0bGUIAhglgDIyAcQgAAOGAAAAAAAAAAwAAAAAAAAAAAAAAAAAA== > (2R)-4-(2-aminoacetyl)-N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-2-carboxamide > (2R)-4-(2-amino-1-oxoethyl)-N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2-piperazinecarboxamide > (2R)-4-(2-aminoacetyl)-N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide > (2R)-4-(2-aminoacetyl)-N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide > (2R)-4-(2-azanylethanoyl)-N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-2-carboxamide > (2R)-N-[4-(dimethylamino)benzyl]-4-glycyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-2-carboxamide > InChI=1S/C23H28F3N5O4S/c1-29(2)18-7-3-16(4-8-18)14-28-22(33)20-15-30(21(32)13-27)11-12-31(20)36(34,35)19-9-5-17(6-10-19)23(24,25)26/h3-10,20H,11-15,27H2,1-2H3,(H,28,33)/t20-/m1/s1 > QXWGSXLJZGKKLK-HXUWFJFHSA-N > 1.3 > 527.18141005 > C23H28F3N5O4S > 527.6 > CN(C)C1=CC=C(C=C1)CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN > CN(C)C1=CC=C(C=C1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN > 124 > 527.18141005 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 18 5 20 23 8 20 24 8 23 25 8 24 26 8 25 28 8 26 28 8 27 29 8 27 30 8 29 33 8 30 34 8 32 33 8 32 34 8 $$$$