methyl 2-methyl-4-(4-methylimidazol-1-yl)-3-methylsulfonyl-benzoate

Systemtic Name: methyl 2-methyl-4-(4-methylimidazol-1-yl)-3-methylsulfonyl-benzoate Openeye Name: methyl 2-methyl-4-(4-methylimidazol-1-yl)-3-methylsulfonyl-benzoate CAS Name: 2-methyl-4-(4-methyl-1-imidazolyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-(4-methylimidazol-1-yl)-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-2-methyl-4-(4-methylimidazol-1-yl)benzoic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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