2-(4-chloranylphenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(4-chlorophenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(4-chlorophenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(4-chlorophenoxy)-N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O4S/c1-26(23,24)21-9-8-13-2-5-16(10-14(13)11-21)20-18(22)12-25-17-6-3-15(19)4-7-17/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)