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

Systemtic Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]thiophene-2-sulfonamide Openeye Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]thiophene-2-sulfonamide CAS Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]-2-thiophenesulfonamide IUPAC Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]thiophene-2-sulfonamide Traditional Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl]thiophene-2-sulfonamide Formula: C21H21N3O2S4 MolecularWeight: 475.67034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNS(=O)(=O)C2=CC=CS2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCNS(=O)(=O)C2=CC=CS2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O2S4/c1-15-16(14-29-21-23-17-7-2-3-8-18(17)24-21)6-4-9-19(15)27-13-11-22-30(25,26)20-10-5-12-28-20/h2-10,12,22H,11,13-14H2,1H3,(H,23,24)