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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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