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

Systemtic Name: 2-butyl-3-[[4-[2-(3-methylbut-2-enoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-[2-(3-methylbut-2-enoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-[2-[[3-methylbut-2-enoxy(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-[2-(3-methylbut-2-enoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-[2-(3-methylbut-2-enoxycarbonylsulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid Formula: C28H33N3O6S2 MolecularWeight: 571.70812

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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)OCC=C(C)C)C(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O6S2/c1-5-6-11-24-29-26(38-4)25(27(32)33)31(24)18-20-12-14-21(15-13-20)22-9-7-8-10-23(22)39(35,36)30-28(34)37-17-16-19(2)3/h7-10,12-16H,5-6,11,17-18H2,1-4H3,(H,30,34)(H,32,33)