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

Systemtic Name: 4-tert-butyl-N-[3-(6-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Formula: C25H25ClN2O2S MolecularWeight: 452.9962

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O2S/c1-25(2,3)19-7-10-22(11-8-19)31(29,30)28-21-6-4-5-18(16-21)24-23-12-9-20(26)15-17(23)13-14-27-24/h4-12,15-16,28H,13-14H2,1-3H3