[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(methylsulfamoyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(methylsulfamoyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(methylsulfamoyl)benzoate CAS Name: 4-(methylsulfamoyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(methylsulfamoyl)benzoate Traditional Name: 4-(methylsulfamoyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H18N4O5S/c1-19-26(23,24)14-6-4-13(5-7-14)16(22)25-12-15(21)20(10-2-8-17)11-3-9-18/h4-7,19H,2-3,10-12H2,1H3