3-(6-fluoranylpyridin-3-yl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1-carboxylic acid

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

Isomeric SMILES

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

InChI

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