68331323 -OEChem-05132412122D 80 83 0 1 0 0 0 0 0999 V2000 13.2583 -3.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 3.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7583 -2.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7583 -3.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5950 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3923 -2.5950 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -1.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -1.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -2.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -3.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8144 -4.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4344 -3.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -0.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -0.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 0.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 1.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 1.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 0.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 1.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 1 21 1 0 0 0 0 2 42 1 0 0 0 0 3 42 1 0 0 0 0 4 42 1 0 0 0 0 5 44 1 0 0 0 0 6 18 1 0 0 0 0 6 58 1 0 0 0 0 9 25 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 19 2 0 0 0 0 12 26 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 26 59 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 34 2 0 0 0 0 28 35 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 36 1 0 0 0 0 32 69 1 0 0 0 0 33 37 2 0 0 0 0 33 70 1 0 0 0 0 34 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 2 0 0 0 0 35 71 1 0 0 0 0 36 38 2 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 43 1 0 0 0 0 38 72 1 0 0 0 0 39 44 2 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 44 1 0 0 0 0 41 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 M END > 68331323 > 1 > 1100 > 11 > 1 > 7 > AAADcfB7ucBAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB0AAAHwQASAAADijhmh6/8JMIEgKoAjd3dHCCgCkxEiAJ2CE4dJiKcHLAnZGUYAhqhgLYyCcYiMCPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > N-[4-(4-fluoro-2-methyl-phenyl)-6-[2-(hydroxymethyl)-4-methylsulfonyl-piperazin-1-yl]-3-pyridyl]-N,2-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propanamide > N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-4-methylsulfonyl-1-piperazinyl]-3-pyridinyl]-N,2-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propanamide > N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-4-methylsulfonylpiperazin-1-yl]pyridin-3-yl]-N,2-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propanamide > N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-4-methylsulfonylpiperazin-1-yl]pyridin-3-yl]-N,2-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propanamide > N-[4-(4-fluoranyl-2-methyl-phenyl)-6-[2-(hydroxymethyl)-4-methylsulfonyl-piperazin-1-yl]pyridin-3-yl]-N,2-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propanamide > N-[4-(4-fluoro-2-methyl-phenyl)-6-(4-mesyl-2-methylol-piperazino)-3-pyridyl]-N,2-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propionamide > InChI=1S/C31H36F4N4O4S/c1-19-11-21(14-22(12-19)31(33,34)35)30(3,4)29(41)37(5)27-16-36-28(15-26(27)25-8-7-23(32)13-20(25)2)39-10-9-38(44(6,42)43)17-24(39)18-40/h7-8,11-16,24,40H,9-10,17-18H2,1-6H3 > HHYVCCIWATZQCU-UHFFFAOYSA-N > 5 > 636.23933946 > C31H36F4N4O4S > 636.7 > CC1=CC(=CC(=C1)C(F)(F)F)C(C)(C)C(=O)N(C)C2=CN=C(C=C2C3=C(C=C(C=C3)F)C)N4CCN(CC4CO)S(=O)(=O)C > CC1=CC(=CC(=C1)C(F)(F)F)C(C)(C)C(=O)N(C)C2=CN=C(C=C2C3=C(C=C(C=C3)F)C)N4CCN(CC4CO)S(=O)(=O)C > 102 > 636.23933946 > 0 > 44 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 19 8 12 26 8 14 18 3 19 20 8 20 23 8 23 24 8 24 26 8 27 32 8 27 33 8 28 34 8 28 35 8 32 36 8 33 37 8 34 39 8 35 41 8 36 38 8 37 38 8 39 44 8 41 44 8 $$$$