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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-3-10-29(26,27)24-9-8-16-4-5-18(12-17(16)13-24)23-21(25)14-28-19-6-7-20(22)15(2)11-19/h4-7,11-12H,3,8-10,13-14H2,1-2H3,(H,23,25)