2-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-phenoxy]-2-oxidanylidene-ethanoate; methanesulfonamide

Systemtic Name: 2-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-phenoxy]-2-oxidanylidene-ethanoate; methanesulfonamide Openeye Name: 2-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-phenoxy]-2-oxo-acetate; methanesulfonamide CAS Name: 2-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethylphenoxy]-2-oxoacetate; methanesulfonamide IUPAC Name: 2-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethylphenoxy]-2-oxoacetate; methanesulfonamide Traditional Name: 2-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-phenoxy]-2-keto-acetate; methanesulfonamide Formula: C15H18N3O6S- MolecularWeight: 368.38492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(=O)C(=O)[O-])C)CC2=CN=CN2.CS(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C(=C1)OC(=O)C(=O)[O-])C)CC2=CN=CN2.CS(=O)(=O)N

InChI

InChI=1S/C14H14N2O4.CH5NO2S/c1-8-3-10(5-11-6-15-7-16-11)9(2)12(4-8)20-14(19)13(17)18;1-5(2,3)4/h3-4,6-7H,5H2,1-2H3,(H,15,16)(H,17,18);1H3,(H2,2,3,4)/p-1