[2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] 4-imidazol-1-ylbenzenesulfonate

Systemtic Name: [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] 4-imidazol-1-ylbenzenesulfonate Openeye Name: [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] 4-imidazol-1-ylbenzenesulfonate CAS Name: 4-(1-imidazolyl)benzenesulfonic acid [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] 4-imidazol-1-ylbenzenesulfonate Traditional Name: 4-imidazol-1-ylbenzenesulfonic acid [2-(methylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C18H16N6O4S MolecularWeight: 412.42244

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C18H16N6O4S/c1-19-18(25)23-17-21-15-7-4-13(10-16(15)22-17)28-29(26,27)14-5-2-12(3-6-14)24-9-8-20-11-24/h2-11H,1H3,(H3,19,21,22,23,25)