[4-(2-methylpropoxy)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate

Systemtic Name: [4-(2-methylpropoxy)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: (4-isobutoxyphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid [4-(2-methylpropoxy)phenyl] ester IUPAC Name: [4-(2-methylpropoxy)phenyl] 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid (4-isobutoxyphenyl) ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C19H21N3O6S/c1-12(2)11-27-13-4-6-14(7-5-13)28-29(24,25)15-8-9-16-17(10-15)21-18(20-16)22-19(23)26-3/h4-10,12H,11H2,1-3H3,(H2,20,21,22,23)