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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-tert-butylphenyl)methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-tert-butylbenzyl)thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H25N3O2S2/c1-5-23-18-11-10-16(27(21,24)25)12-17(18)22-19(23)26-13-14-6-8-15(9-7-14)20(2,3)4/h6-12H,5,13H2,1-4H3,(H2,21,24,25)