3-[[4-[2-(butanoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[4-[2-(butanoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-[2-(butanoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-(1-oxobutylsulfamoyl)phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-[2-(butanoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-[2-(butyrylsulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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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)CCC)C(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5S2/c1-4-6-12-22-27-25(35-3)24(26(31)32)29(22)17-18-13-15-19(16-14-18)20-10-7-8-11-21(20)36(33,34)28-23(30)9-5-2/h7-8,10-11,13-16H,4-6,9,12,17H2,1-3H3,(H,28,30)(H,31,32)