4-ethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4-ethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-ethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 4-ethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 4-ethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 4-ethoxy-N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C19H22N2O4S/c1-3-25-18-8-5-15(6-9-18)19(22)20-17-7-4-14-10-11-21(26(2,23)24)13-16(14)12-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)