[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-chloro-5-(methylsulfamoyl)benzoate CAS Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H17ClN4O5S MolecularWeight: 412.84798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O5S/c1-20-27(24,25)12-4-5-14(17)13(10-12)16(23)26-11-15(22)21(8-2-6-18)9-3-7-19/h4-5,10,20H,2-3,8-9,11H2,1H3