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

Systemtic Name: 4-tert-butyl-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Formula: C25H26N2O2S MolecularWeight: 418.55114

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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=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NCCC4=CC=CC=C43

InChI

InChI=1S/C25H26N2O2S/c1-25(2,3)20-11-13-22(14-12-20)30(28,29)27-21-9-6-8-19(17-21)24-23-10-5-4-7-18(23)15-16-26-24/h4-14,17,27H,15-16H2,1-3H3