[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-methylsulfonylbenzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC=CN2C(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC=CN2C(F)F

InChI

InChI=1S/C13H12F2N2O4S/c1-22(19,20)10-4-2-9(3-5-10)12(18)21-8-11-16-6-7-17(11)13(14)15/h2-7,13H,8H2,1H3