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

Systemtic Name: N,N-diphenyl-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N,N-diphenyl-acetamide Formula: C27H22N3O3S2+ MolecularWeight: 500.61188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O3S2/c31-26(29(21-12-4-1-5-13-21)22-14-6-2-7-15-22)20-34-27-28-24-18-10-11-19-25(24)30(27)35(32,33)23-16-8-3-9-17-23/h1-19H,20H2/p+1