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

Systemtic Name: 2-(4-ethoxyphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(4-ethoxyphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(4-ethoxyphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(4-ethoxyphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(4-ethoxyphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-3-13-30(26,27)24-12-11-17-5-6-19(14-18(17)15-24)23-22(25)16-29-21-9-7-20(8-10-21)28-4-2/h5-10,14H,3-4,11-13,15-16H2,1-2H3,(H,23,25)