4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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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)