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

Systemtic Name: [4-(4-chloranylphenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] methanesulfonate Openeye Name: [4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxo-butyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [4-(4-chlorophenoxy)-4-imidazol-1-yl-3-keto-2,2-dimethyl-butyl] ester Formula: C16H19ClN2O5S MolecularWeight: 386.85046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5S/c1-16(2,10-23-25(3,21)22)14(20)15(19-9-8-18-11-19)24-13-6-4-12(17)5-7-13/h4-9,11,15H,10H2,1-3H3