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

Systemtic Name: methyl 2-(fluoranylmethyl)-4-imidazol-1-yl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-(fluoromethyl)-4-imidazol-1-yl-5-methylsulfonyl-benzoate CAS Name: 2-(fluoromethyl)-4-(1-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-(fluoromethyl)-4-imidazol-1-yl-5-methylsulfonylbenzoate Traditional Name: 2-(fluoromethyl)-4-imidazol-1-yl-5-mesyl-benzoic acid methyl ester Formula: C13H13FN2O4S MolecularWeight: 312.316723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1CF)N2C=CN=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1CF)N2C=CN=C2)S(=O)(=O)C

InChI

InChI=1S/C13H13FN2O4S/c1-20-13(17)10-6-12(21(2,18)19)11(5-9(10)7-14)16-4-3-15-8-16/h3-6,8H,7H2,1-2H3