[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C15H15ClN4O5S MolecularWeight: 398.8214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)N(CCC#N)CCC#N)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)N(CCC#N)CCC#N)S(=O)(=O)N)Cl

InChI

InChI=1S/C15H15ClN4O5S/c16-12-4-3-11(9-13(12)26(19,23)24)15(22)25-10-14(21)20(7-1-5-17)8-2-6-18/h3-4,9H,1-2,7-8,10H2,(H2,19,23,24)