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

Systemtic Name: 3-(dimethylaminomethyl)-6-methoxy-2-[methylsulfonyl(piperidin-4-yl)methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-(dimethylaminomethyl)-6-methoxy-2-[methylsulfonyl(4-piperidyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-(dimethylaminomethyl)-6-methoxy-2-[methylsulfonyl(4-piperidinyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-(dimethylaminomethyl)-6-methoxy-2-[methylsulfonyl(piperidin-4-yl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-(dimethylaminomethyl)-2-[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)N1C(C3CCNCC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CN(C)CC1=C(C2=C(C=CC(=C2)OC)C(=O)N1C(C3CCNCC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

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