[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C15H21N3O6S2 MolecularWeight: 403.47374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NCC2=CC=CS2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NCC2=CC=CS2

InChI

InChI=1S/C15H21N3O6S2/c1-26(22,23)18-6-4-11(5-7-18)14(20)24-10-13(19)17-15(21)16-9-12-3-2-8-25-12/h2-3,8,11H,4-7,9-10H2,1H3,(H2,16,17,19,21)