4,5-dimethyl-9-(4-methylphenyl)sulfonyl-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-9-(4-methylphenyl)sulfonyl-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4,5-dimethyl-9-(p-tolylsulfonyl)pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4,5-dimethyl-9-(4-methylphenyl)sulfonyl-3-pyrido[3,4-b]indolecarboxylic acid IUPAC Name: 4,5-dimethyl-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4,5-dimethyl-9-tosyl-$b-carboline-3-carboxylic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC(=C3C4=C(C(=NC=C42)C(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC(=C3C4=C(C(=NC=C42)C(=O)O)C)C

InChI

InChI=1S/C21H18N2O4S/c1-12-7-9-15(10-8-12)28(26,27)23-16-6-4-5-13(2)18(16)19-14(3)20(21(24)25)22-11-17(19)23/h4-11H,1-3H3,(H,24,25)