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

Systemtic Name: methyl 3-[5-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]pyridin-3-yl]cyclopent-3-ene-1-carboxylate Openeye Name: methyl 3-[5-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]-3-pyridyl]cyclopent-3-ene-1-carboxylate CAS Name: 3-[5-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]pyridin-3-yl]cyclopent-3-ene-1-carboxylate Traditional Name: 3-[5-mesyl-2-[4-(trifluoromethyl)phenyl]-3-pyridyl]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=CC(=CN=C2C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CC=C(C1)C2=CC(=CN=C2C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C

InChI

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