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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H27NO6S MolecularWeight: 397.48578

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO6S/c1-19(2,3)17(21)13-26-18(22)14-9-11-20(12-10-14)27(23,24)16-7-5-15(25-4)6-8-16/h5-8,14H,9-13H2,1-4H3