5-(4-acetyloxybutylsulfanyl)-2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 5-(4-acetyloxybutylsulfanyl)-2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 5-(4-acetoxybutylsulfanyl)-2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 5-(4-acetyloxybutylthio)-2-butyl-3-[[4-[2-[[oxo(propylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 5-(4-acetyloxybutylsulfanyl)-2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 5-(4-acetoxybutylthio)-2-butyl-3-[4-[2-(propylcarbamoylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C31H40N4O7S2 MolecularWeight: 644.8019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N4O7S2/c1-4-6-13-27-33-29(43-20-10-9-19-42-22(3)36)28(30(37)38)35(27)21-23-14-16-24(17-15-23)25-11-7-8-12-26(25)44(40,41)34-31(39)32-18-5-2/h7-8,11-12,14-17H,4-6,9-10,13,18-21H2,1-3H3,(H,37,38)(H2,32,34,39)