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

Systemtic Name: (4-bromophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: (4-bromophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid (4-bromophenyl) ester Formula: C15H12BrN3O5S MolecularWeight: 426.24188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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