N-(4-tert-butylphenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-tert-butylphenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(4-tert-butylphenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-tert-butylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-tert-butylphenyl)acetamide Formula: C25H26N3O3S2+ MolecularWeight: 480.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S2/c1-25(2,3)18-13-15-19(16-14-18)26-23(29)17-32-24-27-21-11-7-8-12-22(21)28(24)33(30,31)20-9-5-4-6-10-20/h4-16H,17H2,1-3H3,(H,26,29)/p+1