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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-13(2)20-17(22)12-26-18(23)15-7-9-21(10-8-15)27(24,25)16-5-3-14(11-19)4-6-16/h3-6,13,15H,7-10,12H2,1-2H3,(H,20,22)