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

Systemtic Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(3-fluoranylphenoxy)ethanamide Openeye Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(3-fluorophenoxy)acetamide CAS Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(3-fluorophenoxy)acetamide IUPAC Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(3-fluorophenoxy)acetamide Traditional Name: N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(3-fluorophenoxy)acetamide Formula: C19H21FN2O4S MolecularWeight: 392.444443

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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=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O4S/c1-2-27(24,25)22-9-8-14-6-7-17(10-15(14)12-22)21-19(23)13-26-18-5-3-4-16(20)11-18/h3-7,10-11H,2,8-9,12-13H2,1H3,(H,21,23)