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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H20FN3O5S MolecularWeight: 397.421203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC#N)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC#N)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FN3O5S/c18-14-2-4-15(5-3-14)27(24,25)21-10-6-13(7-11-21)17(23)26-12-16(22)20-9-1-8-19/h2-5,13H,1,6-7,9-12H2,(H,20,22)