2-(5-methoxy-1-methyl-indol-3-yl)-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridine-4-carboxylic acid

Systemtic Name: 2-(5-methoxy-1-methyl-indol-3-yl)-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridine-4-carboxylic acid Openeye Name: 2-(5-methoxy-1-methyl-indol-3-yl)-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridine-4-carboxylic acid CAS Name: 2-(5-methoxy-1-methyl-3-indolyl)-1-(4-methylphenyl)sulfonyl-4-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylic acid Traditional Name: 2-(5-methoxy-1-methyl-indol-3-yl)-1-tosyl-pyrrolo[2,3-b]pyridine-4-carboxylic acid Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)C(=O)O)C4=CN(C5=C4C=C(C=C5)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)C(=O)O)C4=CN(C5=C4C=C(C=C5)OC)C

InChI

InChI=1S/C25H21N3O5S/c1-15-4-7-17(8-5-15)34(31,32)28-23(13-20-18(25(29)30)10-11-26-24(20)28)21-14-27(2)22-9-6-16(33-3)12-19(21)22/h4-14H,1-3H3,(H,29,30)