2-(2,6-dimethylphenoxy)-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide

Systemtic Name: 2-(2,6-dimethylphenoxy)-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(2,6-dimethylphenoxy)-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(2,6-dimethylphenoxy)-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(2,6-dimethylphenoxy)-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(2,6-dimethylphenoxy)-N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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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=CC=C3C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H26N2O4S/c1-4-28(25,26)23-11-10-17-8-9-19(12-18(17)13-23)22-20(24)14-27-21-15(2)6-5-7-16(21)3/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,22,24)