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

Systemtic Name: 2-butyl-3-[[4-[2-(carboxysulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-[2-(carboxysulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-[2-(carboxysulfamoyl)phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-[2-(carboxysulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-[2-(carboxysulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid Formula: C23H25N3O6S2 MolecularWeight: 503.5911

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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)O)C(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6S2/c1-3-4-9-19-24-21(33-2)20(22(27)28)26(19)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)34(31,32)25-23(29)30/h5-8,10-13,25H,3-4,9,14H2,1-2H3,(H,27,28)(H,29,30)