3-[2-(4-fluorophenyl)-5-methylsulfonyl-pyridin-3-yl]cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 3-[2-(4-fluorophenyl)-5-methylsulfonyl-pyridin-3-yl]cyclopent-3-ene-1-carboxylic acid Openeye Name: 3-[2-(4-fluorophenyl)-5-methylsulfonyl-3-pyridyl]cyclopent-3-ene-1-carboxylic acid CAS Name: 3-[2-(4-fluorophenyl)-5-methylsulfonyl-3-pyridinyl]-1-cyclopent-3-enecarboxylic acid IUPAC Name: 3-[2-(4-fluorophenyl)-5-methylsulfonylpyridin-3-yl]cyclopent-3-ene-1-carboxylic acid Traditional Name: 3-[2-(4-fluorophenyl)-5-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=CN=C(C(=C1)C2=CCC(C2)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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