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

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indole-6-carboxylic acid Openeye Name: 3-[1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-1H-indole-6-carboxylic acid CAS Name: 3-[1-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyridinyl]-1H-indole-6-carboxylic acid IUPAC Name: 3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indole-6-carboxylic acid Traditional Name: 3-(1-tosylpyrrolo[2,3-b]pyridin-2-yl)-1H-indole-6-carboxylic acid Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C4=CNC5=C4C=CC(=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C4=CNC5=C4C=CC(=C5)C(=O)O

InChI

InChI=1S/C23H17N3O4S/c1-14-4-7-17(8-5-14)31(29,30)26-21(12-15-3-2-10-24-22(15)26)19-13-25-20-11-16(23(27)28)6-9-18(19)20/h2-13,25H,1H3,(H,27,28)