N-[2-[4-[[3-butyl-5-oxidanylidene-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-phenyl]sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[[3-butyl-5-oxidanylidene-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-phenyl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]-6-fluoro-phenyl]sulfonyl-2-fluoro-benzamide CAS Name: N-[2-[4-[[3-butyl-5-oxo-1-[5-(1-oxopropylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-6-fluorophenyl]sulfonyl-2-fluorobenzamide IUPAC Name: N-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-6-fluorophenyl]sulfonyl-2-fluorobenzamide Traditional Name: N-[2-[4-[[3-butyl-5-keto-1-[5-propionamido-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]-6-fluoro-phenyl]sulfonyl-2-fluoro-benzamide Formula: C36H31F6N5O5S MolecularWeight: 759.717259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=C(C(=CC=C3)F)S(=O)(=O)NC(=O)C4=CC=CC=C4F)F)C5=C(C=CC(=C5)NC(=O)CC)C(F)(F)F

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=C(C(=CC=C3)F)S(=O)(=O)NC(=O)C4=CC=CC=C4F)F)C5=C(C=CC(=C5)NC(=O)CC)C(F)(F)F

InChI

InChI=1S/C36H31F6N5O5S/c1-3-5-13-31-44-47(30-19-23(43-32(48)4-2)16-17-26(30)36(40,41)42)35(50)46(31)20-22-15-14-21(18-29(22)39)24-10-8-12-28(38)33(24)53(51,52)45-34(49)25-9-6-7-11-27(25)37/h6-12,14-19H,3-5,13,20H2,1-2H3,(H,43,48)(H,45,49)