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

Systemtic Name: 2-[2-methyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-(benzenesulfonyl)-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-(benzenesulfonyl)-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-(1-besyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl)acetic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S/c1-11-14(10-15(19)20)13-8-5-9-17-16(13)18(11)23(21,22)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,19,20)