methyl 2-[bis(fluoranyl)methyl]-4-imidazol-1-yl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-[bis(fluoranyl)methyl]-4-imidazol-1-yl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-(difluoromethyl)-4-imidazol-1-yl-5-methylsulfonyl-benzoate CAS Name: 2-(difluoromethyl)-4-(1-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-(difluoromethyl)-4-imidazol-1-yl-5-methylsulfonylbenzoate Traditional Name: 2-(difluoromethyl)-4-imidazol-1-yl-5-mesyl-benzoic acid methyl ester Formula: C13H12F2N2O4S MolecularWeight: 330.307186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C(F)F)N2C=CN=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C(F)F)N2C=CN=C2)S(=O)(=O)C

InChI

InChI=1S/C13H12F2N2O4S/c1-21-13(18)9-6-11(22(2,19)20)10(5-8(9)12(14)15)17-4-3-16-7-17/h3-7,12H,1-2H3