[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylnipecotic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C17H27N3O6S MolecularWeight: 401.47778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=C(ON=C2C)C

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=C(ON=C2C)C

InChI

InChI=1S/C17H27N3O6S/c1-5-11(2)18-15(21)10-25-17(22)14-7-6-8-20(9-14)27(23,24)16-12(3)19-26-13(16)4/h11,14H,5-10H2,1-4H3,(H,18,21)