1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-(benzenesulfonyl)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-besyl-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-3-27-20-14-17-10-12-23(16-18(17)15-21(20)28-4-2)22(24)11-13-29(25,26)19-8-6-5-7-9-19/h5-9,14-15H,3-4,10-13,16H2,1-2H3