(3,3-dimethyl-2-oxidanylidene-butyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H29NO7S MolecularWeight: 427.51176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H29NO7S/c1-20(2,3)18(22)13-28-19(23)14-8-10-21(11-9-14)29(24,25)15-6-7-16(26-4)17(12-15)27-5/h6-7,12,14H,8-11,13H2,1-5H3