2-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(2,4-dihydroxyphenyl)-2-oxoethyl]thio]-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]thio]-N,N,1-triethyl-benzimidazole-5-sulfonamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)C3=C(C=C(C=C3)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C21H25N3O5S2/c1-4-23(5-2)31(28,29)15-8-10-18-17(12-15)22-21(24(18)6-3)30-13-20(27)16-9-7-14(25)11-19(16)26/h7-12,25-26H,4-6,13H2,1-3H3