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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C19H21N3O6S/c1-3-4-11-27-13-5-7-14(8-6-13)28-29(24,25)15-9-10-16-17(12-15)21-18(20-16)22-19(23)26-2/h5-10,12H,3-4,11H2,1-2H3,(H2,20,21,22,23)