(2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO6S/c1-15(2)28-19(23)14-27-20(24)16-10-12-22(13-11-16)29(25,26)18-8-6-17(7-9-18)21(3,4)5/h6-9,15-16H,10-14H2,1-5H3