methyl 2-[2-(3-cyanophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[2-(3-cyanophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(3-cyanophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(3-cyanophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-cyanophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(3-cyanophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC(=C3)C#N)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC(=C3)C#N)CC(=O)OC)OC

InChI

InChI=1S/C21H22N2O6S/c1-27-19-10-15-7-8-23(30(25,26)16-6-4-5-14(9-16)13-22)18(12-21(24)29-3)17(15)11-20(19)28-2/h4-6,9-11,18H,7-8,12H2,1-3H3