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

Systemtic Name: 2-(4-tert-butylphenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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