3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinylphenyl)piperidin-1-yl]propyl]-2-ethyl-3H-isoindol-1-one hydrochloride

Systemtic Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinylphenyl)piperidin-1-yl]propyl]-2-ethyl-3H-isoindol-1-one hydrochloride Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinylphenyl)-1-piperidyl]propyl]-2-ethyl-isoindolin-1-one hydrochloride CAS Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinylphenyl)-1-piperidinyl]propyl]-2-ethyl-3H-isoindol-1-one hydrochloride IUPAC Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinylphenyl)piperidin-1-yl]propyl]-2-ethyl-3H-isoindol-1-one hydrochloride Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinylphenyl)piperidino]propyl]-2-ethyl-isoindolin-1-one hydrochloride Formula: C31H35Cl3N2O2S MolecularWeight: 606.0458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C2=CC=CC=C2C1=O)C(CCN3CCC(CC3)C4=CC=CC=C4S(=O)C)C5=CC(=C(C=C5)Cl)Cl.Cl

Isomeric SMILES

CCN1C(C2=CC=CC=C2C1=O)C(CCN3CCC(CC3)C4=CC=CC=C4S(=O)C)C5=CC(=C(C=C5)Cl)Cl.Cl

InChI

InChI=1S/C31H34Cl2N2O2S.ClH/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37;/h4-13,20-21,24,30H,3,14-19H2,1-2H3;1H