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

Systemtic Name: 3-[[4-[2-(butoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-[2-(butoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-[[4-[2-[[butoxy(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-2-butyl-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-[2-(butoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-[4-[2-(butoxycarbonylsulfamoyl)phenyl]benzyl]-2-butyl-5-(methylthio)imidazole-4-carboxylic acid Formula: C27H33N3O6S2 MolecularWeight: 559.69742

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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)OCCCC)C(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O6S2/c1-4-6-12-23-28-25(37-3)24(26(31)32)30(23)18-19-13-15-20(16-14-19)21-10-8-9-11-22(21)38(34,35)29-27(33)36-17-7-5-2/h8-11,13-16H,4-7,12,17-18H2,1-3H3,(H,29,33)(H,31,32)