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

Systemtic Name: N-(4-acetamidophenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C23H21N4O4S2+ MolecularWeight: 481.56724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O4S2/c1-16(28)24-17-11-13-18(14-12-17)25-22(29)15-32-23-26-20-9-5-6-10-21(20)27(23)33(30,31)19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H2,24,25,28,29)/p+1