4-[[2-(3H-benzimidazol-5-yldiazenyl)-3-oxidanylidene-butanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[2-(3H-benzimidazol-5-yldiazenyl)-3-oxidanylidene-butanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[2-(3H-benzimidazol-5-ylazo)-3-oxo-butanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(3H-benzimidazol-5-ylazo)-1,3-dioxobutyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-(3H-benzimidazol-5-yldiazenyl)-3-oxobutanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(3H-benzimidazol-5-ylazo)-3-keto-butanoyl]amino]besylic acid Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)N=NC2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)N=NC2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C17H15N5O5S/c1-10(23)16(22-21-12-4-7-14-15(8-12)19-9-18-14)17(24)20-11-2-5-13(6-3-11)28(25,26)27/h2-9,16H,1H3,(H,18,19)(H,20,24)(H,25,26,27)