1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C25H32N2O5S/c1-31-23-16-20-12-15-26(18-21(20)17-24(23)32-2)25(28)11-8-19-6-9-22(10-7-19)33(29,30)27-13-4-3-5-14-27/h6-7,9-10,16-17H,3-5,8,11-15,18H2,1-2H3