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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)C)N2C=CN=C2C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)C)N2C=CN=C2C)C(=O)OC

InChI

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