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

Systemtic Name: 3-phenylsulfanylpropyl 5-ethyl-3-[[2-fluoranyl-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylate Openeye Name: 3-phenylsulfanylpropyl 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 3-(phenylthio)propyl ester IUPAC Name: 3-phenylsulfanylpropyl 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 3-(phenylthio)propyl ester Formula: C37H44FN3O6S2 MolecularWeight: 709.890163

Click to see the large picture

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)OCCCSC4=CC=CC=C4)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)OCCCSC4=CC=CC=C4)CC

InChI

InChI=1S/C37H44FN3O6S2/c1-5-13-34-39-32(6-2)35(36(42)46-21-12-23-48-29-14-8-7-9-15-29)41(34)25-28-19-18-27(24-31(28)38)30-16-10-11-17-33(30)49(44,45)40-37(43)47-22-20-26(3)4/h7-11,14-19,24,26H,5-6,12-13,20-23,25H2,1-4H3,(H,40,43)