[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H16N2O5S/c1-2-22(19,20)12-7-4-3-6-11(12)14(18)21-10-13(17)16-9-5-8-15/h3-4,6-7H,2,5,9-10H2,1H3,(H,16,17)