methyl 5-methylsulfonyl-4-pyridin-3-yl-2-(trifluoromethyl)benzoate

Systemtic Name: methyl 5-methylsulfonyl-4-pyridin-3-yl-2-(trifluoromethyl)benzoate Openeye Name: methyl 5-methylsulfonyl-4-(3-pyridyl)-2-(trifluoromethyl)benzoate CAS Name: 5-methylsulfonyl-4-(3-pyridinyl)-2-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-4-pyridin-3-yl-2-(trifluoromethyl)benzoate Traditional Name: 5-mesyl-4-(3-pyridyl)-2-(trifluoromethyl)benzoic acid methyl ester Formula: C15H12F3NO4S MolecularWeight: 359.32029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F3NO4S/c1-23-14(20)11-7-13(24(2,21)22)10(6-12(11)15(16,17)18)9-4-3-5-19-8-9/h3-8H,1-2H3