N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)ethanamide

Systemtic Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)ethanamide Openeye Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide CAS Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide IUPAC Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide Traditional Name: N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-5-29(26,27)24-9-8-18-6-7-20(12-19(18)13-24)23-22(25)14-28-21-11-15(2)10-16(3)17(21)4/h6-7,10-12H,5,8-9,13-14H2,1-4H3,(H,23,25)