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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C16H23N3O6S2 MolecularWeight: 417.50032

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H23N3O6S2/c1-2-7-17-16(22)18-13(20)11-25-15(21)12-5-8-19(9-6-12)27(23,24)14-4-3-10-26-14/h3-4,10,12H,2,5-9,11H2,1H3,(H2,17,18,20,22)