2-(3,4-dimethoxyphenyl)-5-[1-(8-methoxyquinolin-5-yl)ethyl-methyl-amino]-2-(phenylsulfonyl)pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[1-(8-methoxyquinolin-5-yl)ethyl-methyl-amino]-2-(phenylsulfonyl)pentanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-[1-(8-methoxy-5-quinolyl)ethyl-methyl-amino]pentanenitrile CAS Name: 2-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-[1-(8-methoxy-5-quinolinyl)ethyl-methylamino]pentanenitrile IUPAC Name: 2-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-[1-(8-methoxyquinolin-5-yl)ethyl-methylamino]pentanenitrile Traditional Name: 2-besyl-2-(3,4-dimethoxyphenyl)-5-[1-(8-methoxy-5-quinolyl)ethyl-methyl-amino]valeronitrile Formula: C32H35N3O5S MolecularWeight: 573.7024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C=CC=NC2=C(C=C1)OC)N(C)CCCC(C#N)(C3=CC(=C(C=C3)OC)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C1=C2C=CC=NC2=C(C=C1)OC)N(C)CCCC(C#N)(C3=CC(=C(C=C3)OC)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H35N3O5S/c1-23(26-15-17-29(39-4)31-27(26)13-9-19-34-31)35(2)20-10-18-32(22-33,41(36,37)25-11-7-6-8-12-25)24-14-16-28(38-3)30(21-24)40-5/h6-9,11-17,19,21,23H,10,18,20H2,1-5H3