methyl 2-(4-aminophenyl)-7-(4-methylphenyl)sulfonyloxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-7-(4-methylphenyl)sulfonyloxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-1-oxo-7-(p-tolylsulfonyloxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-7-(4-methylphenyl)sulfonyloxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-7-(4-methylphenyl)sulfonyloxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-1-keto-7-tosyloxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C33H30N2O9S MolecularWeight: 630.6643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=C(N(C3=O)C4=CC=C(C=C4)N)C(=O)OC)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=C(N(C3=O)C4=CC=C(C=C4)N)C(=O)OC)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C33H30N2O9S/c1-19-6-13-24(14-7-19)45(38,39)44-23-12-15-25-26(18-23)32(36)35(22-10-8-21(34)9-11-22)30(33(37)43-5)29(25)20-16-27(40-2)31(42-4)28(17-20)41-3/h6-18H,34H2,1-5H3