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

Systemtic Name: N-[2-[4-[[3-butyl-5-oxidanylidene-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-2-chloranyl-benzamide Openeye Name: N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-chloro-benzamide CAS Name: N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-chlorobenzamide IUPAC Name: N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-chlorobenzamide Traditional Name: N-[2-[4-[[3-butyl-5-keto-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-chloro-benzamide Formula: C33H27ClF4N4O4S MolecularWeight: 687.103493

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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=C4Cl)F)C5=CC=CC=C5C(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=C4Cl)F)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C33H27ClF4N4O4S/c1-2-3-16-30-39-42(28-14-8-6-12-25(28)33(36,37)38)32(44)41(30)20-22-18-17-21(19-27(22)35)23-10-5-9-15-29(23)47(45,46)40-31(43)24-11-4-7-13-26(24)34/h4-15,17-19H,2-3,16,20H2,1H3,(H,40,43)