(3-cyanophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate

Systemtic Name: (3-cyanophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: (3-cyanophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid (3-cyanophenyl) ester Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C#N

InChI

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