2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-5-24-18-11-10-16(29(22,26)27)12-17(18)23-20(24)28-13-19(25)14-6-8-15(9-7-14)21(2,3)4/h6-12H,5,13H2,1-4H3,(H2,22,26,27)