[2-(butylamino)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1CCCCN1S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)COC(=O)C1CCCCN1S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O5S/c1-2-3-12-19-17(21)14-25-18(22)16-11-7-8-13-20(16)26(23,24)15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3,(H,19,21)