N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-methoxy-4-methyl-phenoxy)ethanamide

Systemtic Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-methoxy-4-methyl-phenoxy)ethanamide Openeye Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-methoxy-4-methyl-phenoxy)acetamide CAS Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-methoxy-4-methylphenoxy)acetamide IUPAC Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-methoxy-4-methylphenoxy)acetamide Traditional Name: N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-methoxy-4-methyl-phenoxy)acetamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C)OC

InChI

InChI=1S/C21H26N2O5S/c1-4-29(25,26)23-10-9-16-6-7-18(12-17(16)13-23)22-21(24)14-28-19-8-5-15(2)11-20(19)27-3/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,22,24)