[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20FN3O5S MolecularWeight: 385.410503

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H20FN3O5S/c1-3-20(4-2)26(23,24)12-6-7-14(17)13(10-12)16(22)25-11-15(21)19-9-5-8-18/h6-7,10H,3-5,9,11H2,1-2H3,(H,19,21)