1-[6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 1-[6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 1-[1-(4-isopropylsulfonylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 1-[6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 1-[6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 1-[1-(4-isopropylsulfonylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-14(2)29(25,26)18-8-6-16(7-9-18)22-19-13-21(28-5)20(27-4)12-17(19)10-11-23(22)15(3)24/h6-9,12-14,22H,10-11H2,1-5H3