N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]benzenesulfonamide

Systemtic Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]benzenesulfonamide Openeye Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]benzenesulfonamide CAS Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]benzenesulfonamide IUPAC Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]benzenesulfonamide Traditional Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl]benzenesulfonamide Formula: C23H23N3O2S3 MolecularWeight: 469.64262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNS(=O)(=O)C2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCNS(=O)(=O)C2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H23N3O2S3/c1-17-18(16-30-23-25-20-11-5-6-12-21(20)26-23)8-7-13-22(17)29-15-14-24-31(27,28)19-9-3-2-4-10-19/h2-13,24H,14-16H2,1H3,(H,25,26)