4-(5-azanyl-2-oxidanylidene-3H-benzimidazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(5-azanyl-2-oxidanylidene-3H-benzimidazol-1-yl)benzenesulfonic acid Openeye Name: 4-(5-amino-2-oxo-3H-benzimidazol-1-yl)benzenesulfonic acid CAS Name: 4-(5-amino-2-oxo-3H-benzimidazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(5-amino-2-oxo-3H-benzimidazol-1-yl)benzenesulfonic acid Traditional Name: 4-(5-amino-2-keto-3H-benzimidazol-1-yl)besylic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=C(C=C3)N)NC2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=C(C=C3)N)NC2=O)S(=O)(=O)O

InChI

InChI=1S/C13H11N3O4S/c14-8-1-6-12-11(7-8)15-13(17)16(12)9-2-4-10(5-3-9)21(18,19)20/h1-7H,14H2,(H,15,17)(H,18,19,20)