4-ethyl-6,7-dimethoxy-9-(4-methylphenyl)sulfonyl-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-ethyl-6,7-dimethoxy-9-(4-methylphenyl)sulfonyl-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-ethyl-6,7-dimethoxy-9-(p-tolylsulfonyl)pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-ethyl-6,7-dimethoxy-9-(4-methylphenyl)sulfonyl-3-pyrido[3,4-b]indolecarboxylic acid IUPAC Name: 4-ethyl-6,7-dimethoxy-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-ethyl-6,7-dimethoxy-9-tosyl-$b-carboline-3-carboxylic acid Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C3=CC(=C(C=C3N(C2=CN=C1C(=O)O)S(=O)(=O)C4=CC=C(C=C4)C)OC)OC

Isomeric SMILES

CCC1=C2C3=CC(=C(C=C3N(C2=CN=C1C(=O)O)S(=O)(=O)C4=CC=C(C=C4)C)OC)OC

InChI

InChI=1S/C23H22N2O6S/c1-5-15-21-16-10-19(30-3)20(31-4)11-17(16)25(18(21)12-24-22(15)23(26)27)32(28,29)14-8-6-13(2)7-9-14/h6-12H,5H2,1-4H3,(H,26,27)