[2-(dimethylamino)-2-oxidanylidene-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H21N3O5S/c1-19(2)16(21)12-25-17(22)14-7-9-20(10-8-14)26(23,24)15-5-3-13(11-18)4-6-15/h3-6,14H,7-10,12H2,1-2H3