1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-6-carboxylic acid

Systemtic Name: 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-6-carboxylic acid Openeye Name: 1-methyl-3-[1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]indole-6-carboxylic acid CAS Name: 1-methyl-3-[1-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyridinyl]-6-indolecarboxylic acid IUPAC Name: 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-6-carboxylic acid Traditional Name: 1-methyl-3-(1-tosylpyrrolo[2,3-b]pyridin-2-yl)indole-6-carboxylic acid Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C4=CN(C5=C4C=CC(=C5)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C4=CN(C5=C4C=CC(=C5)C(=O)O)C

InChI

InChI=1S/C24H19N3O4S/c1-15-5-8-18(9-6-15)32(30,31)27-22(12-16-4-3-11-25-23(16)27)20-14-26(2)21-13-17(24(28)29)7-10-19(20)21/h3-14H,1-2H3,(H,28,29)