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

Systemtic Name: 4-tert-butyl-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[3-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]benzenesulfonamide Formula: C26H25F3N2O2S MolecularWeight: 486.54911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25F3N2O2S/c1-25(2,3)19-7-10-22(11-8-19)34(32,33)31-21-6-4-5-18(16-21)24-23-12-9-20(26(27,28)29)15-17(23)13-14-30-24/h4-12,15-16,31H,13-14H2,1-3H3