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

Systemtic Name: (3-bromophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: (3-bromophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid (3-bromophenyl) ester Formula: C15H12BrN3O5S MolecularWeight: 426.24188

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN3O5S/c1-23-15(20)19-14-17-12-6-5-11(8-13(12)18-14)25(21,22)24-10-4-2-3-9(16)7-10/h2-8H,1H3,(H2,17,18,19,20)