N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]quinoline-8-sulfonamide

Systemtic Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]quinoline-8-sulfonamide Openeye Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]quinoline-8-sulfonamide CAS Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]quinoline-8-sulfonamide Traditional Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl]quinoline-8-sulfonamide Formula: C26H24N4O2S3 MolecularWeight: 520.68936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C=CC=C1SCCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H24N4O2S3/c1-18-20(17-34-26-29-21-10-2-3-11-22(21)30-26)8-4-12-23(18)33-16-15-28-35(31,32)24-13-5-7-19-9-6-14-27-25(19)24/h2-14,28H,15-17H2,1H3,(H,29,30)