2-butyl-3-methylsulfanyl-1-[[4-[2-(prop-2-enoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-methylsulfanyl-1-[[4-[2-(prop-2-enoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid Openeye Name: 1-[[4-[2-(allyloxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-3-methylsulfanyl-2H-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-(methylthio)-1-[[4-[2-[[oxo(prop-2-enoxy)methyl]sulfamoyl]phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid IUPAC Name: 2-butyl-3-methylsulfanyl-1-[[4-[2-(prop-2-enoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid Traditional Name: 1-[4-[2-(allyloxycarbonylsulfamoyl)phenyl]benzyl]-2-butyl-3-(methylthio)-4-imidazoline-4-carboxylic acid Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1SC)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC=C

Isomeric SMILES

CCCCC1N(C=C(N1SC)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC=C

InChI

InChI=1S/C26H31N3O6S2/c1-4-6-11-24-28(18-22(25(30)31)29(24)36-3)17-19-12-14-20(15-13-19)21-9-7-8-10-23(21)37(33,34)27-26(32)35-16-5-2/h5,7-10,12-15,18,24H,2,4,6,11,16-17H2,1,3H3,(H,27,32)(H,30,31)