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

Systemtic Name: 2-[1-(3-cyanophenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-(3-cyanophenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-(3-cyanophenyl)sulfonyl-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-(3-cyanophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-(3-cyanophenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC(=C3)C#N)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC(=C3)C#N)N=CC=C2)CC(=O)O

InChI

InChI=1S/C17H13N3O4S/c1-11-15(9-16(21)22)14-6-3-7-19-17(14)20(11)25(23,24)13-5-2-4-12(8-13)10-18/h2-8H,9H2,1H3,(H,21,22)