2-ethyl-3-[[4-[2-(methylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 2-ethyl-3-[[4-[2-(methylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-ethyl-3-[[4-[2-(methylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-ethyl-3-[[4-[2-(methylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-ethyl-3-[[4-[2-(methylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-ethyl-3-[4-[2-(methylcarbamoylsulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NC)C(=O)O)SC

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NC)C(=O)O)SC

InChI

InChI=1S/C22H24N4O5S2/c1-4-18-24-20(32-3)19(21(27)28)26(18)13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)33(30,31)25-22(29)23-2/h5-12H,4,13H2,1-3H3,(H,27,28)(H2,23,25,29)