(2-azanyl-3H-benzimidazol-5-yl) 4-imidazol-1-ylbenzenesulfonate

Systemtic Name: (2-azanyl-3H-benzimidazol-5-yl) 4-imidazol-1-ylbenzenesulfonate Openeye Name: (2-amino-3H-benzimidazol-5-yl) 4-imidazol-1-ylbenzenesulfonate CAS Name: 4-(1-imidazolyl)benzenesulfonic acid (2-amino-3H-benzimidazol-5-yl) ester IUPAC Name: (2-amino-3H-benzimidazol-5-yl) 4-imidazol-1-ylbenzenesulfonate Traditional Name: 4-imidazol-1-ylbenzenesulfonic acid (2-amino-3H-benzimidazol-5-yl) ester Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CN=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)N

Isomeric SMILES

C1=CC(=CC=C1N2C=CN=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)N

InChI

InChI=1S/C16H13N5O3S/c17-16-19-14-6-3-12(9-15(14)20-16)24-25(22,23)13-4-1-11(2-5-13)21-8-7-18-10-21/h1-10H,(H3,17,19,20)