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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1CCCCN1S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1CCCCN1S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O6S/c1-2-11-19-18(24)20-16(22)13-27-17(23)15-10-6-7-12-21(15)28(25,26)14-8-4-3-5-9-14/h2-5,8-9,15H,1,6-7,10-13H2,(H2,19,20,22,24)