N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3,5-trimethylphenoxy)ethanamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3,5-trimethylphenoxy)ethanamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3,5-trimethylphenoxy)acetamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3,5-trimethylphenoxy)acetamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3,5-trimethylphenoxy)acetamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide Formula: C26H28N2O4S MolecularWeight: 464.57652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2)C)C

InChI

InChI=1S/C26H28N2O4S/c1-18-13-19(2)20(3)25(14-18)32-17-26(29)27-23-10-9-21-11-12-28(16-22(21)15-23)33(30,31)24-7-5-4-6-8-24/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,27,29)