4-[[3-oxidanylidene-2-[2-(2-oxidanylidenebenzimidazol-5-yl)hydrazinyl]butoxy]amino]benzenesulfonic acid

Systemtic Name: 4-[[3-oxidanylidene-2-[2-(2-oxidanylidenebenzimidazol-5-yl)hydrazinyl]butoxy]amino]benzenesulfonic acid Openeye Name: 4-[[3-oxo-2-[2-(2-oxobenzimidazol-5-yl)hydrazino]butoxy]amino]benzenesulfonic acid CAS Name: 4-[[3-oxo-2-[(2-oxo-5-benzimidazolyl)hydrazo]butoxy]amino]benzenesulfonic acid IUPAC Name: 4-[[3-oxo-2-[2-(2-oxobenzimidazol-5-yl)hydrazinyl]butoxy]amino]benzenesulfonic acid Traditional Name: 4-[[3-keto-2-[N'-(2-ketobenzimidazol-5-yl)hydrazino]butoxy]amino]besylic acid Formula: C17H17N5O6S MolecularWeight: 419.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CONC1=CC=C(C=C1)S(=O)(=O)O)NNC2=CC3=NC(=O)N=C3C=C2

Isomeric SMILES

CC(=O)C(CONC1=CC=C(C=C1)S(=O)(=O)O)NNC2=CC3=NC(=O)N=C3C=C2

InChI

InChI=1S/C17H17N5O6S/c1-10(23)16(9-28-22-11-2-5-13(6-3-11)29(25,26)27)21-20-12-4-7-14-15(8-12)19-17(24)18-14/h2-8,16,20-22H,9H2,1H3,(H,25,26,27)