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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(3,4-dimethylphenyl)acetamide Formula: C23H22N3O3S2+ MolecularWeight: 452.56908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3O3S2/c1-16-12-13-18(14-17(16)2)24-22(27)15-30-23-25-20-10-6-7-11-21(20)26(23)31(28,29)19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,24,27)/p+1