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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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