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

Systemtic Name: 3-[bis(2-cyanoethyl)sulfamoyl]benzoic acid Openeye Name: 3-[bis(2-cyanoethyl)sulfamoyl]benzoic acid CAS Name: 3-[bis(2-cyanoethyl)sulfamoyl]benzoic acid IUPAC Name: 3-[bis(2-cyanoethyl)sulfamoyl]benzoic acid Traditional Name: 3-[bis(2-cyanoethyl)sulfamoyl]benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N(CCC#N)CCC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N(CCC#N)CCC#N)C(=O)O

InChI

InChI=1S/C13H13N3O4S/c14-6-2-8-16(9-3-7-15)21(19,20)12-5-1-4-11(10-12)13(17)18/h1,4-5,10H,2-3,8-9H2,(H,17,18)