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

Systemtic Name: [2-(phenylsulfinyl)phenyl]methyl 5-ethyl-3-[[2-fluoranyl-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylate Openeye Name: [2-(benzenesulfinyl)phenyl]methyl 5-ethyl-3-[[2-fluoro-4-[2-(isopentyloxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylate CAS Name: 5-ethyl-3-[[2-fluoro-4-[2-[[3-methylbutoxy(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-2-propyl-4-imidazolecarboxylic acid [2-(benzenesulfinyl)phenyl]methyl ester IUPAC Name: [2-(benzenesulfinyl)phenyl]methyl 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate Traditional Name: 5-ethyl-3-[2-fluoro-4-[2-(isoamoxycarbonylsulfamoyl)phenyl]benzyl]-2-propyl-imidazole-4-carboxylic acid [2-(benzenesulfinyl)benzyl] ester Formula: C41H44FN3O7S2 MolecularWeight: 773.932363

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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)OCC4=CC=CC=C4S(=O)C5=CC=CC=C5)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)OCC4=CC=CC=C4S(=O)C5=CC=CC=C5)CC

InChI

InChI=1S/C41H44FN3O7S2/c1-5-14-38-43-35(6-2)39(40(46)52-27-31-15-10-12-19-36(31)53(48)32-16-8-7-9-17-32)45(38)26-30-22-21-29(25-34(30)42)33-18-11-13-20-37(33)54(49,50)44-41(47)51-24-23-28(3)4/h7-13,15-22,25,28H,5-6,14,23-24,26-27H2,1-4H3,(H,44,47)