2-[2-methyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-(4-methylphenyl)sulfonyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-(2-methyl-1-tosyl-pyrrolo[2,3-b]pyridin-3-yl)acetic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C3=C2N=CC=C3)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C3=C2N=CC=C3)CC(=O)O)C

InChI

InChI=1S/C17H16N2O4S/c1-11-5-7-13(8-6-11)24(22,23)19-12(2)15(10-16(20)21)14-4-3-9-18-17(14)19/h3-9H,10H2,1-2H3,(H,20,21)