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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H23N3O6S2/c24-17(22-20(26)21-13-15-5-2-1-3-6-15)14-29-19(25)16-8-10-23(11-9-16)31(27,28)18-7-4-12-30-18/h1-7,12,16H,8-11,13-14H2,(H2,21,22,24,26)