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

Systemtic Name: 2-[1-(4-methoxyphenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-(4-methoxyphenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-(4-methoxyphenyl)sulfonyl-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-(4-methoxyphenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-(4-methoxyphenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-11-15(10-16(20)21)14-4-3-9-18-17(14)19(11)25(22,23)13-7-5-12(24-2)6-8-13/h3-9H,10H2,1-2H3,(H,20,21)