N-[3-[3-butyl-4-[[2-fluoranyl-4-[2-[(2-fluorophenyl)carbonylsulfamoyl]phenyl]phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[3-butyl-4-[[2-fluoranyl-4-[2-[(2-fluorophenyl)carbonylsulfamoyl]phenyl]phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[3-butyl-4-[[2-fluoro-4-[2-[(2-fluorobenzoyl)sulfamoyl]phenyl]phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: N-[3-[3-butyl-4-[[2-fluoro-4-[2-[[(2-fluorophenyl)-oxomethyl]sulfamoyl]phenyl]phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[3-butyl-4-[[2-fluoro-4-[2-[(2-fluorobenzoyl)sulfamoyl]phenyl]phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[3-butyl-4-[2-fluoro-4-[2-[(2-fluorobenzoyl)sulfamoyl]phenyl]benzyl]-5-keto-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]nicotinamide Formula: C39H31F5N6O5S MolecularWeight: 790.757656

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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=CC=CC=C4F)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=CC=CC=C4F)F)C5=C(C=CC(=C5)NC(=O)C6=CN=CC=C6)C(F)(F)F

InChI

InChI=1S/C39H31F5N6O5S/c1-2-3-14-35-47-50(33-21-27(17-18-30(33)39(42,43)44)46-36(51)25-9-8-19-45-22-25)38(53)49(35)23-26-16-15-24(20-32(26)41)28-10-5-7-13-34(28)56(54,55)48-37(52)29-11-4-6-12-31(29)40/h4-13,15-22H,2-3,14,23H2,1H3,(H,46,51)(H,48,52)