3-(2-methylsulfonylpyridin-3-yl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 3-(2-methylsulfonylpyridin-3-yl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid Openeye Name: 3-(2-methylsulfonyl-3-pyridyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid CAS Name: 3-(2-methylsulfonyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1-cyclopent-3-enecarboxylic acid IUPAC Name: 3-(2-methylsulfonylpyridin-3-yl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid Traditional Name: 3-(2-mesyl-3-pyridyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid Formula: C19H16F3NO4S MolecularWeight: 411.39485

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC=N1)C2=C(CC(C2)C(=O)O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC=N1)C2=C(CC(C2)C(=O)O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3NO4S/c1-28(26,27)17-14(3-2-8-23-17)16-10-12(18(24)25)9-15(16)11-4-6-13(7-5-11)19(20,21)22/h2-8,12H,9-10H2,1H3,(H,24,25)