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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-butoxy-benzenesulfonamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-butoxy-benzenesulfonamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-butoxybenzenesulfonamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-butoxybenzenesulfonamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-4-butoxy-benzenesulfonamide Formula: C19H19F6NO3S MolecularWeight: 455.414479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F6NO3S/c1-2-3-8-29-16-4-6-17(7-5-16)30(27,28)26-12-13-9-14(18(20,21)22)11-15(10-13)19(23,24)25/h4-7,9-11,26H,2-3,8,12H2,1H3