4-butoxy-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide CAS Name: 4-butoxy-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Formula: C26H25F3N2O3S MolecularWeight: 502.54851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NCCC4=C3C=CC(=C4)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NCCC4=C3C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C26H25F3N2O3S/c1-2-3-15-34-22-8-10-23(11-9-22)35(32,33)31-21-6-4-5-19(17-21)25-24-12-7-20(26(27,28)29)16-18(24)13-14-30-25/h4-12,16-17,31H,2-3,13-15H2,1H3