N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenyl-benzenesulfonamide

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenyl-benzenesulfonamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenyl-benzenesulfonamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenylbenzenesulfonamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenylbenzenesulfonamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-4-phenyl-benzenesulfonamide Formula: C25H26N2O3S MolecularWeight: 434.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S/c1-18(2)25(28)27-15-14-21-8-11-23(16-22(21)17-27)26-31(29,30)24-12-9-20(10-13-24)19-6-4-3-5-7-19/h3-13,16,18,26H,14-15,17H2,1-2H3