2-[bis(cyanomethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 2-[bis(cyanomethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-[bis(cyanomethyl)amino]-5-sulfamoyl-benzoic acid CAS Name: 2-[bis(cyanomethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 2-[bis(cyanomethyl)amino]-5-sulfamoylbenzoic acid Traditional Name: 2-[bis(cyanomethyl)amino]-5-sulfamoyl-benzoic acid Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)N(CC#N)CC#N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)N(CC#N)CC#N

InChI

InChI=1S/C11H10N4O4S/c12-3-5-15(6-4-13)10-2-1-8(20(14,18)19)7-9(10)11(16)17/h1-2,7H,5-6H2,(H,16,17)(H2,14,18,19)