5-ethyl-3-[[2-fluoranyl-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 5-ethyl-3-[[2-fluoranyl-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 5-ethyl-3-[[2-fluoro-4-[2-(isopentyloxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid CAS Name: 5-ethyl-3-[[2-fluoro-4-[2-[[3-methylbutoxy(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 5-ethyl-3-[2-fluoro-4-[2-(isoamoxycarbonylsulfamoyl)phenyl]benzyl]-2-propyl-imidazole-4-carboxylic acid Formula: C28H34FN3O6S MolecularWeight: 559.649463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)F)C(=O)O)CC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)F)C(=O)O)CC

InChI

InChI=1S/C28H34FN3O6S/c1-5-9-25-30-23(6-2)26(27(33)34)32(25)17-20-13-12-19(16-22(20)29)21-10-7-8-11-24(21)39(36,37)31-28(35)38-15-14-18(3)4/h7-8,10-13,16,18H,5-6,9,14-15,17H2,1-4H3,(H,31,35)(H,33,34)