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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-besylpiperazino)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-30-21-14-18-8-9-25(16-19(18)15-22(21)31-2)23(27)17-24-10-12-26(13-11-24)32(28,29)20-6-4-3-5-7-20/h3-7,14-15H,8-13,16-17H2,1-2H3