[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H21N3O5S/c18-8-5-9-19-16(21)13-25-17(22)14-6-4-7-15(12-14)26(23,24)20-10-2-1-3-11-20/h4,6-7,12H,1-3,5,9-11,13H2,(H,19,21)