3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinylpyridin-3-yl)piperidin-1-yl]propyl]-6-methoxy-2-methyl-3H-isoindol-1-one hydrochloride

Systemtic Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinylpyridin-3-yl)piperidin-1-yl]propyl]-6-methoxy-2-methyl-3H-isoindol-1-one hydrochloride Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinyl-3-pyridyl)-1-piperidyl]propyl]-6-methoxy-2-methyl-isoindolin-1-one hydrochloride CAS Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinyl-3-pyridinyl)-1-piperidinyl]propyl]-6-methoxy-2-methyl-3H-isoindol-1-one hydrochloride IUPAC Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinylpyridin-3-yl)piperidin-1-yl]propyl]-6-methoxy-2-methyl-3H-isoindol-1-one hydrochloride Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinyl-3-pyridyl)piperidino]propyl]-6-methoxy-2-methyl-isoindolin-1-one hydrochloride Formula: C30H34Cl3N3O3S MolecularWeight: 623.03326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=C(C1=O)C=C(C=C2)OC)C(CCN3CCC(CC3)C4=C(N=CC=C4)S(=O)C)C5=CC(=C(C=C5)Cl)Cl.Cl

Isomeric SMILES

CN1C(C2=C(C1=O)C=C(C=C2)OC)C(CCN3CCC(CC3)C4=C(N=CC=C4)S(=O)C)C5=CC(=C(C=C5)Cl)Cl.Cl

InChI

InChI=1S/C30H33Cl2N3O3S.ClH/c1-34-28(24-8-7-21(38-2)18-25(24)30(34)36)22(20-6-9-26(31)27(32)17-20)12-16-35-14-10-19(11-15-35)23-5-4-13-33-29(23)39(3)37;/h4-9,13,17-19,22,28H,10-12,14-16H2,1-3H3;1H