[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O6S/c1-27(24,25)20-9-7-14(8-10-20)16(22)26-12-15(21)19-17(23)18-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,18,19,21,23)