[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H21ClN2O5S2/c20-15-5-7-17(8-6-15)29(25,26)22-9-1-3-14(12-22)19(24)27-13-18(23)21-11-16-4-2-10-28-16/h2,4-8,10,14H,1,3,9,11-13H2,(H,21,23)