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

Systemtic Name: 2-butyl-3-[[4-[2-(cyclohexylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-[2-(cyclohexylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-[2-[[(cyclohexylmethylamino)-oxomethyl]sulfamoyl]phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-[2-(cyclohexylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-[2-(cyclohexylmethylcarbamoylsulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid Formula: C30H38N4O5S2 MolecularWeight: 598.77652

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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)NCC4CCCCC4)C(=O)O)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4CCCCC4)C(=O)O)SC

InChI

InChI=1S/C30H38N4O5S2/c1-3-4-14-26-32-28(40-2)27(29(35)36)34(26)20-22-15-17-23(18-16-22)24-12-8-9-13-25(24)41(38,39)33-30(37)31-19-21-10-6-5-7-11-21/h8-9,12-13,15-18,21H,3-7,10-11,14,19-20H2,1-2H3,(H,35,36)(H2,31,33,37)