methyl 3-[4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethylsulfamoyl]phenyl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethylsulfamoyl]phenyl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethylsulfamoyl]phenyl]sulfonylthiophene-2-carboxylate CAS Name: 3-[4-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethylsulfamoyl]phenyl]sulfonyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethylsulfamoyl]phenyl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethylsulfamoyl]phenyl]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C29H27N3O6S5 MolecularWeight: 673.86618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O6S5/c1-19-20(18-41-29-31-23-7-3-4-8-24(23)32-29)6-5-9-25(19)39-17-15-30-43(36,37)22-12-10-21(11-13-22)42(34,35)26-14-16-40-27(26)28(33)38-2/h3-14,16,30H,15,17-18H2,1-2H3,(H,31,32)