(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfonylphenyl)methanone

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfonylphenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfonylphenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfonylphenyl)methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfonylphenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-mesylphenyl)methanone Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)OCC

InChI

InChI=1S/C21H25NO5S/c1-4-26-19-12-16-10-11-22(14-17(16)13-20(19)27-5-2)21(23)15-6-8-18(9-7-15)28(3,24)25/h6-9,12-13H,4-5,10-11,14H2,1-3H3