(4-chloranyl-2-methyl-phenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: (4-chloro-2-methyl-phenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid (4-chloro-2-methyl-phenyl) ester Formula: C16H14ClN3O5S MolecularWeight: 395.81746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C16H14ClN3O5S/c1-9-7-10(17)3-6-14(9)25-26(22,23)11-4-5-12-13(8-11)19-15(18-12)20-16(21)24-2/h3-8H,1-2H3,(H2,18,19,20,21)