2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-(trifluoromethylsulfanyl)imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-(trifluoromethylsulfanyl)imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-(trifluoromethylsulfanyl)imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-[2-[[oxo(propylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-5-(trifluoromethylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-(trifluoromethylsulfanyl)imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-[2-(propylcarbamoylsulfamoyl)phenyl]benzyl]-5-(trifluoromethylthio)imidazole-4-carboxylic acid Formula: C26H29F3N4O5S2 MolecularWeight: 598.65747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29F3N4O5S2/c1-3-5-10-21-31-23(39-26(27,28)29)22(24(34)35)33(21)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)40(37,38)32-25(36)30-15-4-2/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,34,35)(H2,30,32,36)