N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]-4-(phenylsulfonyl)thiophene-2-sulfonamide

Systemtic Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]-4-(phenylsulfonyl)thiophene-2-sulfonamide Openeye Name: 4-(benzenesulfonyl)-N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]thiophene-2-sulfonamide CAS Name: 4-(benzenesulfonyl)-N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]-2-thiophenesulfonamide IUPAC Name: 4-(benzenesulfonyl)-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]-4-besyl-thiophene-2-sulfonamide Formula: C27H25N3O4S5 MolecularWeight: 615.8301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C=CC=C1SCCNS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H25N3O4S5/c1-19-20(17-37-27-29-23-11-5-6-12-24(23)30-27)8-7-13-25(19)35-15-14-28-39(33,34)26-16-22(18-36-26)38(31,32)21-9-3-2-4-10-21/h2-13,16,18,28H,14-15,17H2,1H3,(H,29,30)