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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H27NO7S MolecularWeight: 425.49588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C20H27NO7S/c1-20(2,3)17(22)13-28-18(23)14-9-11-21(12-10-14)29(25,26)16-8-6-5-7-15(16)19(24)27-4/h5-8,14H,9-13H2,1-4H3