2-[4-[bis(cyanomethyl)sulfamoyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[bis(cyanomethyl)sulfamoyl]phenyl]ethanoic acid Openeye Name: 2-[4-[bis(cyanomethyl)sulfamoyl]phenyl]acetic acid CAS Name: 2-[4-[bis(cyanomethyl)sulfamoyl]phenyl]acetic acid IUPAC Name: 2-[4-[bis(cyanomethyl)sulfamoyl]phenyl]acetic acid Traditional Name: 2-[4-[bis(cyanomethyl)sulfamoyl]phenyl]acetic acid Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)N(CC#N)CC#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)N(CC#N)CC#N

InChI

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