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

Systemtic Name: methyl 4-imidazol-1-yl-2-methoxy-5-methylsulfonyl-benzoate Openeye Name: methyl 4-imidazol-1-yl-2-methoxy-5-methylsulfonyl-benzoate CAS Name: 4-(1-imidazolyl)-2-methoxy-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-imidazol-1-yl-2-methoxy-5-methylsulfonylbenzoate Traditional Name: 4-imidazol-1-yl-5-mesyl-2-methoxy-benzoic acid methyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CN=C2

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CN=C2

InChI

InChI=1S/C13H14N2O5S/c1-19-11-7-10(15-5-4-14-8-15)12(21(3,17)18)6-9(11)13(16)20-2/h4-8H,1-3H3