1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-2-oxidanylidene-4H-isoquinolin-2-ium-3-carboxylic acid

Systemtic Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-2-oxidanylidene-4H-isoquinolin-2-ium-3-carboxylic acid Openeye Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-2-oxo-4H-isoquinolin-2-ium-3-carboxylic acid CAS Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-2-oxo-4H-isoquinolin-2-ium-3-carboxylic acid IUPAC Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-2-oxo-4H-isoquinolin-2-ium-3-carboxylic acid Traditional Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-2-keto-3-(2-methoxyphenyl)-4H-isoquinolin-2-ium-3-carboxylic acid Formula: C33H29N2O8S+ MolecularWeight: 613.65696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)C2(C3=CC=CC=C3CC([N+]2=O)(C4=CC=CC=C4OC)C(=O)O)C5=CNC6=CC=CC=C65)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)C2(C3=CC=CC=C3CC([N+]2=O)(C4=CC=CC=C4OC)C(=O)O)C5=CNC6=CC=CC=C65)OC

InChI

InChI=1S/C33H28N2O8S/c1-41-22-16-17-30(29(18-22)43-3)44(39,40)33(26-20-34-27-14-8-5-11-23(26)27)24-12-6-4-10-21(24)19-32(31(36)37,35(33)38)25-13-7-9-15-28(25)42-2/h4-18,20,34H,19H2,1-3H3/p+1