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

Systemtic Name: 2-[1-[(4-ethylsulfonylphenyl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-ethylsulfonylphenyl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-[(4-ethylsulfonylphenyl)methyl]-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-[(4-ethylsulfonylphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-(4-esylbenzyl)-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=C2N=CC=C3)CC(=O)O)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=C2N=CC=C3)CC(=O)O)C

InChI

InChI=1S/C19H20N2O4S/c1-3-26(24,25)15-8-6-14(7-9-15)12-21-13(2)17(11-18(22)23)16-5-4-10-20-19(16)21/h4-10H,3,11-12H2,1-2H3,(H,22,23)