1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3-pyridylsulfonyl)piperazino]ethanone Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OC

InChI

InChI=1S/C22H28N4O5S/c1-30-20-12-17-5-7-25(15-18(17)13-21(20)31-2)22(27)16-24-8-10-26(11-9-24)32(28,29)19-4-3-6-23-14-19/h3-4,6,12-14H,5,7-11,15-16H2,1-2H3