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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-3-5-14(2)20-17(22)13-26-18(23)15-7-10-21(11-8-15)27(24,25)16-6-4-9-19-12-16/h4,6,9,12,14-15H,3,5,7-8,10-11,13H2,1-2H3,(H,20,22)