methyl 2-fluoranyl-4-imidazol-1-yl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-fluoranyl-4-imidazol-1-yl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-fluoro-4-imidazol-1-yl-5-methylsulfonyl-benzoate CAS Name: 2-fluoro-4-(1-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-fluoro-4-imidazol-1-yl-5-methylsulfonylbenzoate Traditional Name: 2-fluoro-4-imidazol-1-yl-5-mesyl-benzoic acid methyl ester Formula: C12H11FN2O4S MolecularWeight: 298.290143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)N2C=CN=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)N2C=CN=C2)S(=O)(=O)C

InChI

InChI=1S/C12H11FN2O4S/c1-19-12(16)8-5-11(20(2,17)18)10(6-9(8)13)15-4-3-14-7-15/h3-7H,1-2H3