2-[6,7-dimethoxy-2-(2-methoxy-5-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[6,7-dimethoxy-2-(2-methoxy-5-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-2-(2-methoxy-5-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[6,7-dimethoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[6,7-dimethoxy-2-(2-methoxy-5-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC#N)OC)OC

InChI

InChI=1S/C21H24N2O5S/c1-14-5-6-18(26-2)21(11-14)29(24,25)23-10-8-15-12-19(27-3)20(28-4)13-16(15)17(23)7-9-22/h5-6,11-13,17H,7-8,10H2,1-4H3