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

Systemtic Name: 6-methoxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-methoxy-2-methyl-3-(1-methylsulfonyl-3-piperidyl)-4-phenyl-isoquinolin-1-one CAS Name: 6-methoxy-2-methyl-3-(1-methylsulfonyl-3-piperidinyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-methoxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)-4-phenylisoquinolin-1-one Traditional Name: 3-(1-mesyl-3-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)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C4CCCN(C4)S(=O)(=O)C

InChI

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