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

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

Isomeric SMILES

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

InChI

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