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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-15(2)16-5-8-20(9-6-16)27-14-21(24)22-19-7-4-17-10-11-23(28(3,25)26)13-18(17)12-19/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,22,24)