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

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-imidazol-1-ylbenzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-imidazol-1-ylbenzenesulfonate CAS Name: 4-(1-imidazolyl)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-imidazol-1-ylbenzenesulfonate Traditional Name: 4-imidazol-1-ylbenzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O5S/c1-27-18(24)22-17-20-15-7-4-13(10-16(15)21-17)28-29(25,26)14-5-2-12(3-6-14)23-9-8-19-11-23/h2-11H,1H3,(H2,20,21,22,24)