4137819 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 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 2 5 5 6 6 6 7 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 14 14 14 15 15 16 16 16 17 18 18 19 19 20 20 21 21 22 23 23 24 25 25 26 3 4 5 18 13 11 12 13 14 15 24 26 9 10 13 27 11 28 29 12 30 31 32 33 34 35 16 36 37 17 19 17 38 39 20 23 24 21 40 22 41 22 42 43 25 44 45 26 46 47 2 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 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 8.903 4.3211 8.6967 9.1092 7.9244 4.6783 11.5278 5.9674 6.6353 6.2781 7.6138 7.2566 4.9889 5.2619 3.732 4.6783 3.732 9.8815 2.866 2.866 2 2 10.1921 10.5493 11.1706 11.8385 5.7748 6.8665 6.1089 5.6643 6.2575 8.2276 7.6344 7.0254 7.783 5.7227 5.7227 5.2156 4.4272 2.866 2.866 1.4631 1.4631 9.7781 10.3567 11.3632 12.4451 -1.1086 -1.028 -2.0871 -0.1301 -0.9024 0.6668 -0.7767 -0.4899 0.2544 -1.4404 0.0482 -1.6467 -0.2837 1.4715 0.9715 2.2763 1.9715 -1.3148 0.4715 2.4715 0.9715 1.9715 -2.2653 -0.5705 -2.4715 -1.7272 0.0994 0.8296 0.582 -1.5278 -2.0601 0.1355 0.6678 -2.2219 -1.9743 1.0568 1.8863 2.5855 2.8432 -0.1485 3.0915 0.6615 2.2815 -2.7268 0.0188 -3.0609 -1.8551 8 8 8 8 8 8 8 8 8 8 8 8 7 7 15 15 17 18 18 19 20 21 23 25 24 26 17 19 20 23 24 21 22 22 25 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 610 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30004000000000000000000000000001600000003C588000000000005801C000001E04004000000D08C1DA043CC193081002A80235775470C2803031022008D83D3864980820F2C09191842008608600C8C8071480800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 indolin-1-yl-[1-(3-pyridylsulfonyl)-4-piperidyl]methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 indolin-1-yl-[1-(3-pyridylsulfonyl)-4-piperidyl]methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H21N3O3S/c23-19(22-13-9-15-4-1-2-6-18(15)22)16-7-11-21(12-8-16)26(24,25)17-5-3-10-20-14-17/h1-6,10,14,16H,7-9,11-13H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RUTUAUHWLHZEMR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.13036271 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H21N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CCC1C(=O)N2CCC3=CC=CC=C32)S(=O)(=O)C4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CCC1C(=O)N2CCC3=CC=CC=C32)S(=O)(=O)C4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 79 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.13036271 26 0 0 0 0 0 0 0 1 -1