[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-3-16(4-2)20-18(22)14-26-19(23)15-10-12-21(13-11-15)27(24,25)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,20,22)