4-butoxy-N-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[3-fluoro-5-(trifluoromethyl)benzyl]benzenesulfonamide Formula: C18H19F4NO3S MolecularWeight: 405.406973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC(=C2)F)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC(=C2)F)C(F)(F)F

InChI

InChI=1S/C18H19F4NO3S/c1-2-3-8-26-16-4-6-17(7-5-16)27(24,25)23-12-13-9-14(18(20,21)22)11-15(19)10-13/h4-7,9-11,23H,2-3,8,12H2,1H3