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

Systemtic Name: 3-[4-methoxy-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-2-yl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[4-methoxy-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[4-methoxy-1-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyridinyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[4-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1-methylindole-5-carboxylic acid Traditional Name: 3-(4-methoxy-1-tosyl-pyrrolo[2,3-b]pyridin-2-yl)-1-methyl-indole-5-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)OC)C4=CN(C5=C4C=C(C=C5)C(=O)O)C

Isomeric SMILES

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

InChI

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