3-(4-methylsulfonylphenyl)-4-[6-(trifluoromethyl)pyridin-3-yl]cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 3-(4-methylsulfonylphenyl)-4-[6-(trifluoromethyl)pyridin-3-yl]cyclopent-3-ene-1-carboxylic acid Openeye Name: 3-(4-methylsulfonylphenyl)-4-[6-(trifluoromethyl)-3-pyridyl]cyclopent-3-ene-1-carboxylic acid CAS Name: 3-(4-methylsulfonylphenyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1-cyclopent-3-enecarboxylic acid IUPAC Name: 3-(4-methylsulfonylphenyl)-4-[6-(trifluoromethyl)pyridin-3-yl]cyclopent-3-ene-1-carboxylic acid Traditional Name: 3-(4-mesylphenyl)-4-[6-(trifluoromethyl)-3-pyridyl]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=CC=C(C=C1)C2=C(CC(C2)C(=O)O)C3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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