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

Systemtic Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(propoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(propoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[[oxo(propoxy)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(propoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(propoxycarbonylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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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)OCCC)C(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O6S2/c1-4-6-11-22-27-24(36-3)23(25(30)31)29(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(33,34)28-26(32)35-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,28,32)(H,30,31)