sodium 5-azanyl-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]benzenesulfonate

Systemtic Name: sodium 5-azanyl-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]benzenesulfonate Openeye Name: sodium 5-amino-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]benzenesulfonate CAS Name: sodium 5-amino-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]benzenesulfonate IUPAC Name: sodium 5-amino-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]benzenesulfonate Traditional Name: sodium 5-amino-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]besylate Formula: C13H11N4NaO4S MolecularWeight: 342.30561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])NC2=CC3=C(C=C2)NC(=O)N3.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])NC2=CC3=C(C=C2)NC(=O)N3.[Na+]

InChI

InChI=1S/C13H12N4O4S.Na/c14-7-1-3-10(12(5-7)22(19,20)21)15-8-2-4-9-11(6-8)17-13(18)16-9;/h1-6,15H,14H2,(H2,16,17,18)(H,19,20,21);/q;+1/p-1