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

Systemtic Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)ethanamide Openeye Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide CAS Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide IUPAC Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide Traditional Name: N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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)C)C=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-14-9-15(2)16(3)20(10-14)27-13-21(24)22-19-6-5-17-7-8-23(28(4,25)26)12-18(17)11-19/h5-6,9-11H,7-8,12-13H2,1-4H3,(H,22,24)