44825295 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 16 8 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 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 15 16 17 17 18 19 19 19 20 21 21 22 22 24 24 25 25 27 27 27 2 3 6 13 23 26 27 9 10 11 12 14 18 23 43 11 28 29 12 30 31 32 33 34 35 16 17 21 22 16 18 19 36 20 37 20 23 38 39 40 24 41 25 42 26 44 26 45 46 47 48 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 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 8.9282 8.4282 9.4282 14.0561 2.866 8.0622 6.3301 12.4725 8.0622 7.1962 7.1962 6.3301 9.7942 5.4641 11.5263 10.6603 9.7942 11.5263 12.4725 10.6603 4.5981 5.4641 13.0561 3.732 4.5981 3.732 2 8.6728 8.2742 6.7976 7.5947 7.5947 6.7976 5.7196 6.1181 10.6603 9.2573 13.0099 12.2215 10.6603 4.5981 6.001 12.6651 3.1951 4.5981 1.69 1.4631 2.31 -0.553 -1.419 0.3131 -1.553 2.947 -0.053 0.947 -2.3577 0.947 -0.553 1.447 -0.053 -1.053 1.447 -1.053 -0.553 -2.053 -2.053 -0.7482 -2.553 0.947 2.447 -1.553 1.447 2.947 2.447 2.447 0.8394 1.5296 -1.0279 -1.0279 1.922 1.922 0.0547 -0.6356 0.067 -2.363 -0.439 -0.1813 -3.173 0.327 2.757 -2.947 1.137 3.567 2.984 2.137 1.9101 8 8 8 8 8 8 8 8 8 8 8 8 13 13 14 14 15 15 17 18 21 22 24 25 16 17 21 22 16 18 20 20 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 634 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38004000000000000000000000000001600000003C6080000000000058014000001E04104000000C0CC1D80632C783C00402880225525070C208102122000888190E6C880C6632C4B59B94302864D411C8E807BCC8808E00440080000200000088010000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylindolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-(4-methoxyphenyl)piperazino]sulfonyloxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H21N3O4S/c1-26-16-4-2-15(3-5-16)21-8-10-22(11-9-21)27(24,25)17-6-7-18-14(12-17)13-19(23)20-18/h2-7,12H,8-11,13H2,1H3,(H,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SYCGHNBIJWGJIJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 387.12527733 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H21N3O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 387.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 87.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 387.12527733 27 0 0 0 0 0 0 0 1 -1