3-[bis(cyanomethyl)sulfamoylmethyl]benzoic acid

Systemtic Name: 3-[bis(cyanomethyl)sulfamoylmethyl]benzoic acid Openeye Name: 3-[bis(cyanomethyl)sulfamoylmethyl]benzoic acid CAS Name: 3-[bis(cyanomethyl)sulfamoylmethyl]benzoic acid IUPAC Name: 3-[bis(cyanomethyl)sulfamoylmethyl]benzoic acid Traditional Name: 3-[bis(cyanomethyl)sulfamoylmethyl]benzoic acid Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)N(CC#N)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)N(CC#N)CC#N)C(=O)O

InChI

InChI=1S/C12H11N3O4S/c13-4-6-15(7-5-14)20(18,19)9-10-2-1-3-11(8-10)12(16)17/h1-3,8H,6-7,9H2,(H,16,17)