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

Systemtic Name: 2-[2-[[2-[(2-bromanyl-4-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethylamino]ethanoic acid Openeye Name: 2-[2-[[2-(2-bromo-4-sulfamoyl-anilino)-2-oxo-ethyl]amino]ethylamino]acetic acid CAS Name: 2-[2-[[2-(2-bromo-4-sulfamoylanilino)-2-oxoethyl]amino]ethylamino]acetic acid IUPAC Name: 2-[2-[[2-(2-bromo-4-sulfamoylanilino)-2-oxoethyl]amino]ethylamino]acetic acid Traditional Name: 2-[2-[[2-(2-bromo-4-sulfamoyl-anilino)-2-keto-ethyl]amino]ethylamino]acetic acid Formula: C12H17BrN4O5S MolecularWeight: 409.25618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN4O5S/c13-9-5-8(23(14,21)22)1-2-10(9)17-11(18)6-15-3-4-16-7-12(19)20/h1-2,5,15-16H,3-4,6-7H2,(H,17,18)(H,19,20)(H2,14,21,22)