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

Systemtic Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(prop-2-ynylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(prop-2-ynylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[[oxo-(prop-2-ynylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(prop-2-ynylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(propargylcarbamoylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C26H28N4O5S2 MolecularWeight: 540.65432

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)NCC#C)C(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O5S2/c1-4-6-11-22-28-24(36-3)23(25(31)32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)29-26(33)27-16-5-2/h2,7-10,12-15H,4,6,11,16-17H2,1,3H3,(H,31,32)(H2,27,29,33)