N-(2-methoxy-5-methyl-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-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-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C23H22N3O4S2+ MolecularWeight: 468.56848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S2/c1-16-12-13-21(30-2)19(14-16)24-22(27)15-31-23-25-18-10-6-7-11-20(18)26(23)32(28,29)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,24,27)/p+1