N-(3-methyl-4-oxidanyl-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methyl-4-oxidanyl-phenyl)-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-hydroxy-3-methyl-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(4-hydroxy-3-methylphenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-hydroxy-3-methylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-hydroxy-3-methyl-phenyl)acetamide Formula: C22H20N3O4S2+ MolecularWeight: 454.5419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4S2/c1-15-13-16(11-12-20(15)26)23-21(27)14-30-22-24-18-9-5-6-10-19(18)25(22)31(28,29)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H2,23,26,27)/p+1