[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(ethylsulfamoyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(ethylsulfamoyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(ethylsulfamoyl)benzoate CAS Name: 3-(ethylsulfamoyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate Traditional Name: 3-(ethylsulfamoyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-2-20-27(24,25)15-7-3-6-14(12-15)17(23)26-13-16(22)21(10-4-8-18)11-5-9-19/h3,6-7,12,20H,2,4-5,10-11,13H2,1H3