3-(4-fluorophenyl)-4-(2-methylsulfonylpyridin-3-yl)cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 3-(4-fluorophenyl)-4-(2-methylsulfonylpyridin-3-yl)cyclopent-3-ene-1-carboxylic acid Openeye Name: 3-(4-fluorophenyl)-4-(2-methylsulfonyl-3-pyridyl)cyclopent-3-ene-1-carboxylic acid CAS Name: 3-(4-fluorophenyl)-4-(2-methylsulfonyl-3-pyridinyl)-1-cyclopent-3-enecarboxylic acid IUPAC Name: 3-(4-fluorophenyl)-4-(2-methylsulfonylpyridin-3-yl)cyclopent-3-ene-1-carboxylic acid Traditional Name: 3-(4-fluorophenyl)-4-(2-mesyl-3-pyridyl)cyclopent-3-ene-1-carboxylic acid Formula: C18H16FNO4S MolecularWeight: 361.387343

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C18H16FNO4S/c1-25(23,24)17-14(3-2-8-20-17)16-10-12(18(21)22)9-15(16)11-4-6-13(19)7-5-11/h2-8,12H,9-10H2,1H3,(H,21,22)