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

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C17H16ClN3O5S/c1-9-6-11(7-10(2)15(9)18)26-27(23,24)12-4-5-13-14(8-12)20-16(19-13)21-17(22)25-3/h4-8H,1-3H3,(H2,19,20,21,22)