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

Systemtic Name: 2-butyl-3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-[2-(carbethoxysulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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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(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6S2/c1-4-6-11-21-26-23(35-3)22(24(29)30)28(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)36(32,33)27-25(31)34-5-2/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,27,31)(H,29,30)