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

Systemtic Name: 3,4-diethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3,4-diethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 3,4-diethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 3,4-diethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 3,4-diethoxy-N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-4-27-19-9-7-16(13-20(19)28-5-2)21(24)22-18-8-6-15-10-11-23(29(3,25)26)14-17(15)12-18/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,24)