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

Systemtic Name: N-[2-[4-[[3-butyl-5-oxidanylidene-1-[5-(propylsulfonylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-[2-[4-[[3-butyl-5-oxo-1-[5-(propylsulfonylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-fluoro-benzamide CAS Name: N-[2-[4-[[3-butyl-5-oxo-1-[5-(propylsulfonylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide IUPAC Name: N-[2-[4-[[3-butyl-5-oxo-1-[5-(propylsulfonylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide Traditional Name: N-[2-[4-[[3-butyl-5-keto-1-[5-(propylsulfonylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-fluoro-benzamide Formula: C36H34F5N5O6S2 MolecularWeight: 791.807076

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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)NS(=O)(=O)CCC)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)NS(=O)(=O)CCC)C(F)(F)F

InChI

InChI=1S/C36H34F5N5O6S2/c1-3-5-14-33-42-46(31-21-25(43-53(49,50)19-4-2)17-18-28(31)36(39,40)41)35(48)45(33)22-24-16-15-23(20-30(24)38)26-10-7-9-13-32(26)54(51,52)44-34(47)27-11-6-8-12-29(27)37/h6-13,15-18,20-21,43H,3-5,14,19,22H2,1-2H3,(H,44,47)