[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H25N3O6S/c1-3-19-18(24)20-16(22)13(2)27-17(23)14-9-11-21(12-10-14)28(25,26)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H2,19,20,22,24)