2-[carboxymethyl-(4-diazenyl-3-methylsulfonyl-phenyl)amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(4-diazenyl-3-methylsulfonyl-phenyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-4-diazenyl-3-methylsulfonyl-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-4-diazenyl-3-methylsulfonylanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-4-diazenyl-3-methylsulfonylanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-4-diazenyl-3-mesyl-anilino]acetic acid Formula: C11H13N3O6S MolecularWeight: 315.30242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O6S/c1-21(19,20)9-4-7(2-3-8(9)13-12)14(5-10(15)16)6-11(17)18/h2-4,12H,5-6H2,1H3,(H,15,16)(H,17,18)