[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-cyanobenzenesulfonate

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-cyanobenzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C16H12N4O5S MolecularWeight: 372.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H12N4O5S/c1-24-16(21)20-15-18-13-7-4-11(8-14(13)19-15)25-26(22,23)12-5-2-10(9-17)3-6-12/h2-8H,1H3,(H2,18,19,20,21)