N-[4-chloranyl-2-(4,4-dimethyl-3H-isoquinolin-1-yl)phenyl]-N,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[4-chloranyl-2-(4,4-dimethyl-3H-isoquinolin-1-yl)phenyl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[4-chloro-2-(4,4-dimethyl-3H-isoquinolin-1-yl)phenyl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[4-chloro-2-(4,4-dimethyl-3H-isoquinolin-1-yl)phenyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[4-chloro-2-(4,4-dimethyl-3H-isoquinolin-1-yl)phenyl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[4-chloro-2-(4,4-dimethyl-3H-isoquinolin-1-yl)phenyl]-N,4-dimethyl-benzenesulfonamide Formula: C25H25ClN2O2S MolecularWeight: 452.9962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)Cl)C3=NCC(C4=CC=CC=C43)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)Cl)C3=NCC(C4=CC=CC=C43)(C)C

InChI

InChI=1S/C25H25ClN2O2S/c1-17-9-12-19(13-10-17)31(29,30)28(4)23-14-11-18(26)15-21(23)24-20-7-5-6-8-22(20)25(2,3)16-27-24/h5-15H,16H2,1-4H3