6,7-dimethoxy-2-[1-(phenylsulfonyl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[1-(phenylsulfonyl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-(benzenesulfonyl)-3-piperidyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-(benzenesulfonyl)-3-piperidinyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-(benzenesulfonyl)piperidin-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(1-besyl-3-piperidyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H28N2O4S/c1-27-21-13-17-10-12-23(15-18(17)14-22(21)28-2)19-7-6-11-24(16-19)29(25,26)20-8-4-3-5-9-20/h3-5,8-9,13-14,19H,6-7,10-12,15-16H2,1-2H3