[2-[aminocarbonyl(methyl)amino]-3H-benzimidazol-5-yl] 4-imidazol-1-ylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4)C(=O)N

Isomeric SMILES

CN(C1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4)C(=O)N

InChI

InChI=1S/C18H16N6O4S/c1-23(17(19)25)18-21-15-7-4-13(10-16(15)22-18)28-29(26,27)14-5-2-12(3-6-14)24-9-8-20-11-24/h2-11H,1H3,(H2,19,25)(H,21,22)