3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 3-[[4-[2-[[oxo(propylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 3-[4-[2-(propylcarbamoylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C=NC=C3C(=O)O

Isomeric SMILES

CCCNC(=O)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C=NC=C3C(=O)O

InChI

InChI=1S/C21H22N4O5S/c1-2-11-23-21(28)24-31(29,30)19-6-4-3-5-17(19)16-9-7-15(8-10-16)13-25-14-22-12-18(25)20(26)27/h3-10,12,14H,2,11,13H2,1H3,(H,26,27)(H2,23,24,28)