methyl 2-(fluoranylmethyl)-4-(4-methylimidazol-1-yl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-(fluoranylmethyl)-4-(4-methylimidazol-1-yl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-(fluoromethyl)-4-(4-methylimidazol-1-yl)-5-methylsulfonyl-benzoate CAS Name: 2-(fluoromethyl)-4-(4-methyl-1-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-(fluoromethyl)-4-(4-methylimidazol-1-yl)-5-methylsulfonylbenzoate Traditional Name: 2-(fluoromethyl)-5-mesyl-4-(4-methylimidazol-1-yl)benzoic acid methyl ester Formula: C14H15FN2O4S MolecularWeight: 326.343303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=C(C=C(C(=C2)CF)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CN(C=N1)C2=C(C=C(C(=C2)CF)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C14H15FN2O4S/c1-9-7-17(8-16-9)12-4-10(6-15)11(14(18)21-2)5-13(12)22(3,19)20/h4-5,7-8H,6H2,1-3H3