N-[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]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[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]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[3-butyl-4-[[4-[2-[(2,5-difluorobenzoyl)sulfamoyl]phenyl]-2-fluoro-phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: N-[3-[3-butyl-4-[[4-[2-[[(2,5-difluorophenyl)-oxomethyl]sulfamoyl]phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[3-butyl-4-[[4-[2-[(2,5-difluorobenzoyl)sulfamoyl]phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[3-butyl-4-[4-[2-[(2,5-difluorobenzoyl)sulfamoyl]phenyl]-2-fluoro-benzyl]-5-keto-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]nicotinamide Formula: C39H30F6N6O5S MolecularWeight: 808.748119

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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)NC(=O)C6=CN=CC=C6)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)NC(=O)C6=CN=CC=C6)C(F)(F)F

InChI

InChI=1S/C39H30F6N6O5S/c1-2-3-10-35-48-51(33-20-27(14-15-30(33)39(43,44)45)47-36(52)24-7-6-17-46-21-24)38(54)50(35)22-25-12-11-23(18-32(25)42)28-8-4-5-9-34(28)57(55,56)49-37(53)29-19-26(40)13-16-31(29)41/h4-9,11-21H,2-3,10,22H2,1H3,(H,47,52)(H,49,53)