5312148 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 19 20 20 21 21 22 23 23 23 2 3 5 17 9 10 11 13 16 7 8 14 24 9 25 26 10 27 28 29 30 31 32 12 33 34 13 35 36 15 37 38 39 40 41 42 43 44 45 46 18 19 20 47 21 48 22 23 22 49 50 51 52 53 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 13 5 12 15 37 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 3.732 4.732 2.732 5.4641 3.732 5.4641 6.3301 4.5981 6.3301 4.5981 5.4641 4.5981 4.5981 5.4641 5.4641 2.866 3.732 2.866 4.5981 2.866 4.5981 3.732 2 6.001 6.9407 6.5422 4.386 3.9875 6.5422 6.9407 3.9875 4.386 5.6762 6.0747 4.386 3.9875 4.5981 6.0841 5.4641 4.8441 5.1541 6.001 5.7741 3.176 2.3291 2.556 2.3291 5.135 5.135 3.732 1.69 1.4631 2.31 -2 -2 -2 2 -1 4 3.5 3.5 2.5 2.5 1 0.5 -0.5 5 -1 -0.5 -3 -3.5 -3.5 -4.5 -4.5 -5 -5 4.31 3.3923 4.0826 4.0826 3.3923 1.9174 2.6077 2.6077 1.9174 0.4174 1.1077 1.0826 0.3923 -1.12 5 5.62 5 -1.5369 -1.31 -0.4631 0.0369 -0.19 -1.0369 -3.19 -3.19 -4.81 -5.62 -4.4631 -5.31 -5.5369 5 8 8 8 8 8 8 13 17 17 18 19 20 21 5 18 19 20 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 452 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30004000000000000000000000000000000000003C4000000000000000010000001C04004000000D28C1580432018300000280022042007042001020000008881808008808202280D1108420002080008888071080000E00000080000000000000010000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,3-dimethyl-N-[(1R)-1-methyl-3-(4-methyl-1-piperidyl)propyl]benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,3-dimethyl-N-[(2R)-4-(4-methyl-1-piperidinyl)butan-2-yl]benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,3-dimethyl-<I>N</I>-[(2<I>R</I>)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,3-dimethyl-N-[(1R)-1-methyl-3-(4-methylpiperidino)propyl]benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AGVNHDNTFYHZNL-QGZVFWFLSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 338.20279938 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H30N2O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 338.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CCN(CC1)CCC(C)N(C)S(=O)(=O)C2=CC=CC(=C2)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CCN(CC1)CC[C@@H](C)N(C)S(=O)(=O)C2=CC=CC(=C2)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 338.20279938 23 1 1 0 0 0 0 0 1 1