40217077 -OEChem-03292407292D 58 61 0 0 0 0 0 0 0999 V2000 4.5981 -3.5194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -3.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 5.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 6.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 6.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 5.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 5.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 5.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 5.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 6.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 7.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 7.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 6.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -6.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.1394 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 20 1 0 0 0 0 4 14 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 7 48 1 0 0 0 0 8 28 1 0 0 0 0 8 30 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 27 1 0 0 0 0 20 28 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 M END > 40217077 > 1 > 681 > 6 > 1 > 5 > AAADceB7sABAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAAABwAAAHgQQQAAADQjB2gQ+wZPIEAKoAjV3VHDCgDAxAiAI2D04ZJgIIPLAkZGEIAhglADIyAcUgAAOAACAQAACAAAAAQCAAAQAAAAAAAAAAA== > N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide > N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide > N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide > N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide > N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide > N-(3-methyl-4-pyrrolidino-phenyl)-1-(3-pyridylsulfonyl)isonipecotamide > InChI=1S/C22H28N4O3S/c1-17-15-19(6-7-21(17)25-11-2-3-12-25)24-22(27)18-8-13-26(14-9-18)30(28,29)20-5-4-10-23-16-20/h4-7,10,15-16,18H,2-3,8-9,11-14H2,1H3,(H,24,27) > HEQDAXDTUKDLBX-UHFFFAOYSA-N > 2.3 > 428.18821194 > C22H28N4O3S > 428.5 > CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)N4CCCC4 > CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)N4CCCC4 > 91 > 428.18821194 > 0 > 30 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 22 8 19 23 8 20 27 8 20 28 8 21 24 8 21 25 8 22 24 8 23 25 8 27 29 8 29 30 8 8 28 8 8 30 8 $$$$