4-tert-butyl-N-[4-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[4-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Formula: C25H25ClN2O2S MolecularWeight: 452.9962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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