4-[bis(2-cyanoethyl)sulfamoyl]benzoate

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoate CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoate IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C13H13N3O4S/c14-7-1-9-16(10-2-8-15)21(19,20)12-5-3-11(4-6-12)13(17)18/h3-6H,1-2,9-10H2,(H,17,18)/p-1