2-[[2-[(2-bromanyl-4-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(2-bromanyl-4-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-(2-bromo-4-sulfamoyl-anilino)-2-oxo-ethyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[2-(2-bromo-4-sulfamoylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-(2-bromo-4-sulfamoylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[2-(2-bromo-4-sulfamoyl-anilino)-2-keto-ethyl]-(carboxymethyl)amino]acetic acid Formula: C12H14BrN3O7S MolecularWeight: 424.22446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)Br)NC(=O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)Br)NC(=O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C12H14BrN3O7S/c13-8-3-7(24(14,22)23)1-2-9(8)15-10(17)4-16(5-11(18)19)6-12(20)21/h1-3H,4-6H2,(H,15,17)(H,18,19)(H,20,21)(H2,14,22,23)