60258686 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 16 8 8 8 7 7 7 6 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 4 5 5 6 6 6 7 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 14 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 23 23 23 24 24 25 25 25 26 2 3 5 14 13 11 12 13 17 36 22 26 9 10 13 27 11 28 29 12 30 31 32 33 34 35 15 16 18 37 19 38 21 22 20 39 20 40 23 24 25 41 42 43 44 26 45 46 47 48 49 2 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 3 2 4 2.134 3 3.866 3 3 2.134 3.866 2.134 3.866 3 3 2.134 3.866 3.866 2.134 3.866 3 4.732 3 3 4.732 5.5981 3.866 3.5369 1.9219 1.5234 4.4766 4.0781 1.5234 1.9219 4.0781 4.4766 4.403 1.597 4.403 1.597 4.403 2.4631 2.38 3 3.62 5.269 5.2881 6.135 5.9081 3.866 -1.75 -1.75 -1.75 2.75 -0.75 2.75 5.25 1.25 0.75 0.75 -0.25 -0.25 2.25 -2.75 -3.25 -3.25 3.75 -4.25 -4.25 -4.75 4.25 4.25 -5.75 5.25 3.75 5.75 1.56 1.3326 0.6423 0.6423 1.3326 -0.1423 -0.8326 -0.8326 -0.1423 2.44 -2.94 -2.94 -4.56 -4.56 3.94 -5.75 -6.37 -5.75 5.56 3.2131 3.44 4.2869 6.37 8 8 8 8 8 8 8 8 8 8 8 8 7 7 14 14 15 16 17 17 18 19 21 24 22 26 15 16 18 19 21 22 20 20 24 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 573 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30004000000000000000000000000000000000003C588000000000000001C000001E04104000000D08C1DA043EC192C81002A80235775470C2803031122008D839387498086072C09191942008609400C8C8071480000E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methyl-3-pyridyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-methylphenyl)sulfonyl-N-(4-methyl-3-pyridinyl)-4-piperidinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-methylphenyl)sulfonyl-<I>N</I>-(4-methylpyridin-3-yl)piperidine-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-methylphenyl)sulfonyl-N-(4-methylpyridin-3-yl)piperidine-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-methylphenyl)sulfonyl-N-(4-methylpyridin-3-yl)piperidine-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methyl-3-pyridyl)-1-tosyl-isonipecotamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H23N3O3S/c1-14-3-5-17(6-4-14)26(24,25)22-11-8-16(9-12-22)19(23)21-18-13-20-10-7-15(18)2/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MSKFJWWAGWNBLH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.14601278 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H23N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CN=C3)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CN=C3)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.14601278 26 0 0 0 0 0 0 0 1 -1