3-(dimethylaminomethyl)-6-methoxy-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(dimethylaminomethyl)-6-methoxy-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-(dimethylaminomethyl)-6-methoxy-2-[(1-methylsulfonyl-4-piperidyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-(dimethylaminomethyl)-6-methoxy-2-[(1-methylsulfonyl-4-piperidinyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-(dimethylaminomethyl)-6-methoxy-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-(dimethylaminomethyl)-2-[(1-mesyl-4-piperidyl)methyl]-6-methoxy-4-phenyl-isocarbostyril Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=C(C=CC(=C2)OC)C(=O)N1CC3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CN(C)CC1=C(C2=C(C=CC(=C2)OC)C(=O)N1CC3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4S/c1-27(2)18-24-25(20-8-6-5-7-9-20)23-16-21(33-3)10-11-22(23)26(30)29(24)17-19-12-14-28(15-13-19)34(4,31)32/h5-11,16,19H,12-15,17-18H2,1-4H3