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

Systemtic Name: 2-[1-[[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-[[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-[[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-[[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-[4-esyl-2-(trifluoromethyl)benzyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C20H19F3N2O4S MolecularWeight: 440.43607

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N2O4S/c1-3-30(28,29)14-7-6-13(17(9-14)20(21,22)23)11-25-12(2)16(10-18(26)27)15-5-4-8-24-19(15)25/h4-9H,3,10-11H2,1-2H3,(H,26,27)