3-[4-[[4-[2-[[2,5-bis(fluoranyl)phenyl]carbonylsulfamoyl]phenyl]-2-fluoranyl-phenyl]methyl]-3-butyl-5-oxidanylidene-1,2,4-triazol-1-yl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide

Systemtic Name: 3-[4-[[4-[2-[[2,5-bis(fluoranyl)phenyl]carbonylsulfamoyl]phenyl]-2-fluoranyl-phenyl]methyl]-3-butyl-5-oxidanylidene-1,2,4-triazol-1-yl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide Openeye Name: 3-[3-butyl-4-[[4-[2-[(2,5-difluorobenzoyl)sulfamoyl]phenyl]-2-fluoro-phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide CAS Name: 3-[3-butyl-4-[[4-[2-[[(2,5-difluorophenyl)-oxomethyl]sulfamoyl]phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide IUPAC Name: 3-[3-butyl-4-[[4-[2-[(2,5-difluorobenzoyl)sulfamoyl]phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide Traditional Name: 3-[3-butyl-4-[4-[2-[(2,5-difluorobenzoyl)sulfamoyl]phenyl]-2-fluoro-benzyl]-5-keto-1,2,4-triazol-1-yl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide Formula: C37H33F6N5O6S MolecularWeight: 789.743239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C=CC(=C4)F)F)F)C5=C(C=CC(=C5)C(=O)NCCOC)C(F)(F)F

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C=CC(=C4)F)F)F)C5=C(C=CC(=C5)C(=O)NCCOC)C(F)(F)F

InChI

InChI=1S/C37H33F6N5O6S/c1-3-4-9-33-45-48(31-19-23(34(49)44-16-17-54-2)12-14-28(31)37(41,42)43)36(51)47(33)21-24-11-10-22(18-30(24)40)26-7-5-6-8-32(26)55(52,53)46-35(50)27-20-25(38)13-15-29(27)39/h5-8,10-15,18-20H,3-4,9,16-17,21H2,1-2H3,(H,44,49)(H,46,50)