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

Systemtic Name: 2-butyl-3-[[4-[2-(diethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-[2-(diethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-[2-[[diethylamino(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-[2-(diethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-[2-(diethylcarbamoylsulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid Formula: C27H34N4O5S2 MolecularWeight: 558.71266

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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)N(CC)CC)C(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O5S2/c1-5-8-13-23-28-25(37-4)24(26(32)33)31(23)18-19-14-16-20(17-15-19)21-11-9-10-12-22(21)38(35,36)29-27(34)30(6-2)7-3/h9-12,14-17H,5-8,13,18H2,1-4H3,(H,29,34)(H,32,33)