[2-oxidanylidene-2-(phenethylamino)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H25FN2O5S/c23-19-8-10-20(11-9-19)31(28,29)25-14-4-7-18(15-25)22(27)30-16-21(26)24-13-12-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2,(H,24,26)