[4-(4-chloranylphenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] methylsulfonylmethanoate

Systemtic Name: [4-(4-chloranylphenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] methylsulfonylmethanoate Openeye Name: [4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxo-butyl] methylsulfonylformate CAS Name: methylsulfonylformic acid [4-(4-chlorophenoxy)-4-(1-imidazolyl)-2,2-dimethyl-3-oxobutyl] ester IUPAC Name: [4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] methylsulfonylformate Traditional Name: mesylformic acid [4-(4-chlorophenoxy)-4-imidazol-1-yl-3-keto-2,2-dimethyl-butyl] ester Formula: C17H19ClN2O6S MolecularWeight: 414.86056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)S(=O)(=O)C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(COC(=O)S(=O)(=O)C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H19ClN2O6S/c1-17(2,10-25-16(22)27(3,23)24)14(21)15(20-9-8-19-11-20)26-13-6-4-12(18)5-7-13/h4-9,11,15H,10H2,1-3H3