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

Systemtic Name: methyl 2-methyl-4-(2-methylimidazol-1-yl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-methyl-4-(2-methylimidazol-1-yl)-5-methylsulfonyl-benzoate CAS Name: 2-methyl-4-(2-methyl-1-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-(2-methylimidazol-1-yl)-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-4-(2-methylimidazol-1-yl)benzoic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CN=C2C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CN=C2C

InChI

InChI=1S/C14H16N2O4S/c1-9-7-12(16-6-5-15-10(16)2)13(21(4,18)19)8-11(9)14(17)20-3/h5-8H,1-4H3