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

Systemtic Name: (4-cyclohexylphenyl) 6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: (4-cyclohexylphenyl) 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate CAS Name: 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate Traditional Name: 2-keto-6-methyl-1,3-dihydrobenzimidazole-5-sulfonic acid (4-cyclohexylphenyl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)OC3=CC=C(C=C3)C4CCCCC4)NC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)OC3=CC=C(C=C3)C4CCCCC4)NC(=O)N2

InChI

InChI=1S/C20H22N2O4S/c1-13-11-17-18(22-20(23)21-17)12-19(13)27(24,25)26-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,21,22,23)