methyl 3-(6-methylsulfonylpyridin-3-yl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylate

Systemtic Name: methyl 3-(6-methylsulfonylpyridin-3-yl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylate Openeye Name: methyl 3-(6-methylsulfonyl-3-pyridyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylate CAS Name: 3-(6-methylsulfonyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-(6-methylsulfonylpyridin-3-yl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylate Traditional Name: 3-(6-mesyl-3-pyridyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C20H18F3NO4S MolecularWeight: 425.42143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=C(C1)C2=CN=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1CC(=C(C1)C2=CN=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3NO4S/c1-28-19(25)14-9-16(12-3-6-15(7-4-12)20(21,22)23)17(10-14)13-5-8-18(24-11-13)29(2,26)27/h3-8,11,14H,9-10H2,1-2H3