methyl 2-[1-cyano-5,6,7-trimethoxy-2-(4-methylphenyl)sulfonyl-1H-isoquinolin-8-yl]ethanoate

Systemtic Name: methyl 2-[1-cyano-5,6,7-trimethoxy-2-(4-methylphenyl)sulfonyl-1H-isoquinolin-8-yl]ethanoate Openeye Name: methyl 2-[1-cyano-5,6,7-trimethoxy-2-(p-tolylsulfonyl)-1H-isoquinolin-8-yl]acetate CAS Name: 2-[1-cyano-5,6,7-trimethoxy-2-(4-methylphenyl)sulfonyl-1H-isoquinolin-8-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-cyano-5,6,7-trimethoxy-2-(4-methylphenyl)sulfonyl-1H-isoquinolin-8-yl]acetate Traditional Name: 2-(1-cyano-5,6,7-trimethoxy-2-tosyl-1H-isoquinolin-8-yl)acetic acid methyl ester Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C2C#N)C(=C(C(=C3OC)OC)OC)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C2C#N)C(=C(C(=C3OC)OC)OC)CC(=O)OC

InChI

InChI=1S/C23H24N2O7S/c1-14-6-8-15(9-7-14)33(27,28)25-11-10-16-20(18(25)13-24)17(12-19(26)29-2)22(31-4)23(32-5)21(16)30-3/h6-11,18H,12H2,1-5H3