2-(3,5-dimethylphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O4S/c1-4-9-29(26,27)24-8-7-18-5-6-20(13-19(18)14-24)23-22(25)15-28-21-11-16(2)10-17(3)12-21/h5-6,10-13H,4,7-9,14-15H2,1-3H3,(H,23,25)