5-chloranyl-1-phenyl-3-(4-propylsulfonylbutyl)-3-(pyridin-4-ylmethyl)indol-2-one hydrochloride

Systemtic Name: 5-chloranyl-1-phenyl-3-(4-propylsulfonylbutyl)-3-(pyridin-4-ylmethyl)indol-2-one hydrochloride Openeye Name: 5-chloro-1-phenyl-3-(4-propylsulfonylbutyl)-3-(4-pyridylmethyl)indolin-2-one hydrochloride CAS Name: 5-chloro-1-phenyl-3-(4-propylsulfonylbutyl)-3-(pyridin-4-ylmethyl)-2-indolone hydrochloride IUPAC Name: 5-chloro-1-phenyl-3-(4-propylsulfonylbutyl)-3-(pyridin-4-ylmethyl)indol-2-one hydrochloride Traditional Name: 5-chloro-1-phenyl-3-(4-propylsulfonylbutyl)-3-(4-pyridylmethyl)oxindole hydrochloride Formula: C27H30Cl2N2O3S MolecularWeight: 533.5097

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CCCCC1(C2=C(C=CC(=C2)Cl)N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.Cl

Isomeric SMILES

CCCS(=O)(=O)CCCCC1(C2=C(C=CC(=C2)Cl)N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.Cl

InChI

InChI=1S/C27H29ClN2O3S.ClH/c1-2-17-34(32,33)18-7-6-14-27(20-21-12-15-29-16-13-21)24-19-22(28)10-11-25(24)30(26(27)31)23-8-4-3-5-9-23;/h3-5,8-13,15-16,19H,2,6-7,14,17-18,20H2,1H3;1H