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

Systemtic Name: N-[2-[4-[[3-butyl-1-[5-(2-methoxyethanoylamino)-2-(trifluoromethyl)phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-[2-[4-[[3-butyl-1-[5-[(2-methoxyacetyl)amino]-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-fluoro-benzamide CAS Name: N-[2-[4-[[3-butyl-1-[5-[(2-methoxy-1-oxoethyl)amino]-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide IUPAC Name: N-[2-[4-[[3-butyl-1-[5-[(2-methoxyacetyl)amino]-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide Traditional Name: N-[2-[4-[[3-butyl-5-keto-1-[5-[(2-methoxyacetyl)amino]-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-fluoro-benzamide Formula: C36H32F5N5O6S MolecularWeight: 757.726196

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=CC=CC=C4F)F)C5=C(C=CC(=C5)NC(=O)COC)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)COC)C(F)(F)F

InChI

InChI=1S/C36H32F5N5O6S/c1-3-4-13-32-43-46(30-19-24(42-33(47)21-52-2)16-17-27(30)36(39,40)41)35(49)45(32)20-23-15-14-22(18-29(23)38)25-9-6-8-12-31(25)53(50,51)44-34(48)26-10-5-7-11-28(26)37/h5-12,14-19H,3-4,13,20-21H2,1-2H3,(H,42,47)(H,44,48)