2-[8-[3-[(Z)-3-(dimethylamino)-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]quinolin-6-yl]-2-methyl-propanenitrile hydrochloride

Systemtic Name: 2-[8-[3-[(Z)-3-(dimethylamino)-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]quinolin-6-yl]-2-methyl-propanenitrile hydrochloride Openeye Name: 2-[8-[3-[(Z)-3-(dimethylamino)-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]-6-quinolyl]-2-methyl-propanenitrile hydrochloride CAS Name: 2-[8-[3-[(Z)-3-(dimethylamino)-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]-6-quinolinyl]-2-methylpropanenitrile hydrochloride IUPAC Name: 2-[8-[3-[(Z)-3-(dimethylamino)-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]quinolin-6-yl]-2-methylpropanenitrile hydrochloride Traditional Name: 2-[8-[3-[(Z)-3-(dimethylamino)-2-(4-mesylphenyl)prop-1-enyl]phenyl]-6-quinolyl]-2-methyl-propionitrile hydrochloride Formula: C31H32ClN3O2S MolecularWeight: 546.12268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(CN(C)C)C4=CC=C(C=C4)S(=O)(=O)C.Cl

Isomeric SMILES

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)/C=C(\CN(C)C)/C4=CC=C(C=C4)S(=O)(=O)C.Cl

InChI

InChI=1S/C31H31N3O2S.ClH/c1-31(2,21-32)27-18-25-10-7-15-33-30(25)29(19-27)24-9-6-8-22(16-24)17-26(20-34(3)4)23-11-13-28(14-12-23)37(5,35)36;/h6-19H,20H2,1-5H3;1H/b26-17+;