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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-24(21,22)18-9-7-14(8-10-18)16(20)23-12-15(19)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,19)