3-[[4-[2-(methoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-2-propyl-imidazole-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC)C(=O)O)SC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC)C(=O)O)SC

InChI

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