[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-2-7-18-15(20)12-24-16(21)13-5-9-19(10-6-13)25(22,23)14-4-3-8-17-11-14/h2-4,8,11,13H,1,5-7,9-10,12H2,(H,18,20)