ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(trifluoromethylsulfonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(trifluoromethylsulfonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(trifluoromethylsulfonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-(trifluoromethylsulfonylsulfamoyl)phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(trifluoromethylsulfonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(triflylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C25H28F3N3O6S3 MolecularWeight: 619.69653

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NS(=O)(=O)C(F)(F)F)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NS(=O)(=O)C(F)(F)F)C(=O)OCC)SC

InChI

InChI=1S/C25H28F3N3O6S3/c1-4-6-11-21-29-23(38-3)22(24(32)37-5-2)31(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)39(33,34)30-40(35,36)25(26,27)28/h7-10,12-15,30H,4-6,11,16H2,1-3H3