methyl 4-imidazol-1-yl-2,3-dimethyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-imidazol-1-yl-2,3-dimethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-imidazol-1-yl-2,3-dimethyl-5-methylsulfonyl-benzoate CAS Name: 4-(1-imidazolyl)-2,3-dimethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-imidazol-1-yl-2,3-dimethyl-5-methylsulfonylbenzoate Traditional Name: 4-imidazol-1-yl-5-mesyl-2,3-dimethyl-benzoic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CN=C2)C

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CN=C2)C

InChI

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