3-(4-fluorophenyl)-4-(6-methylsulfonylpyridin-3-yl)cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 3-(4-fluorophenyl)-4-(6-methylsulfonylpyridin-3-yl)cyclopent-3-ene-1-carboxylic acid Openeye Name: 3-(4-fluorophenyl)-4-(6-methylsulfonyl-3-pyridyl)cyclopent-3-ene-1-carboxylic acid CAS Name: 3-(4-fluorophenyl)-4-(6-methylsulfonyl-3-pyridinyl)-1-cyclopent-3-enecarboxylic acid IUPAC Name: 3-(4-fluorophenyl)-4-(6-methylsulfonylpyridin-3-yl)cyclopent-3-ene-1-carboxylic acid Traditional Name: 3-(4-fluorophenyl)-4-(6-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=NC=C(C=C1)C2=C(CC(C2)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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