[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H25N3O5S/c1-3-13(2)19-16(21)12-25-17(22)14-6-9-20(10-7-14)26(23,24)15-5-4-8-18-11-15/h4-5,8,11,13-14H,3,6-7,9-10,12H2,1-2H3,(H,19,21)