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

Systemtic Name: 6-methoxy-2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-methoxy-2-methyl-3-(1-methylsulfonyl-4-piperidyl)-4-phenyl-isoquinolin-1-one CAS Name: 6-methoxy-2-methyl-3-(1-methylsulfonyl-4-piperidinyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-methoxy-2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-4-phenylisoquinolin-1-one Traditional Name: 3-(1-mesyl-4-piperidyl)-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O4S/c1-24-22(17-11-13-25(14-12-17)30(3,27)28)21(16-7-5-4-6-8-16)20-15-18(29-2)9-10-19(20)23(24)26/h4-10,15,17H,11-14H2,1-3H3