methyl 2-[bis(fluoranyl)methyl]-5-methylsulfonyl-4-pyridin-3-yl-benzoate

Systemtic Name: methyl 2-[bis(fluoranyl)methyl]-5-methylsulfonyl-4-pyridin-3-yl-benzoate Openeye Name: methyl 2-(difluoromethyl)-5-methylsulfonyl-4-(3-pyridyl)benzoate CAS Name: 2-(difluoromethyl)-5-methylsulfonyl-4-(3-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 2-(difluoromethyl)-5-methylsulfonyl-4-pyridin-3-ylbenzoate Traditional Name: 2-(difluoromethyl)-5-mesyl-4-(3-pyridyl)benzoic acid methyl ester Formula: C15H13F2NO4S MolecularWeight: 341.329826

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F2NO4S/c1-22-15(19)12-7-13(23(2,20)21)10(6-11(12)14(16)17)9-4-3-5-18-8-9/h3-8,14H,1-2H3