1-oxidanylidene-2-(4-sulfamoylphenyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-oxidanylidene-2-(4-sulfamoylphenyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Openeye Name: 1-oxo-2-(4-sulfamoylphenyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid CAS Name: 1-oxo-2-(4-sulfamoylphenyl)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid IUPAC Name: 1-oxo-2-(4-sulfamoylphenyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Traditional Name: 1-keto-2-(4-sulfamoylphenyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Formula: C25H22N2O8S MolecularWeight: 510.51578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C25H22N2O8S/c1-33-19-12-14(13-20(34-2)23(19)35-3)21-17-6-4-5-7-18(17)24(28)27(22(21)25(29)30)15-8-10-16(11-9-15)36(26,31)32/h4-13H,1-3H3,(H,29,30)(H2,26,31,32)