(4-hexoxyphenyl) 6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate

Systemtic Name: (4-hexoxyphenyl) 6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: (4-hexoxyphenyl) 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate CAS Name: 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate Traditional Name: 2-keto-6-methyl-1,3-dihydrobenzimidazole-5-sulfonic acid (4-hexoxyphenyl) ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2C)NC(=O)N3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2C)NC(=O)N3

InChI

InChI=1S/C20H24N2O5S/c1-3-4-5-6-11-26-15-7-9-16(10-8-15)27-28(24,25)19-13-18-17(12-14(19)2)21-20(23)22-18/h7-10,12-13H,3-6,11H2,1-2H3,(H2,21,22,23)