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

Systemtic Name: 6-methoxy-2-methyl-3-(2-methylsulfonylethoxymethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-methoxy-2-methyl-3-(2-methylsulfonylethoxymethyl)-4-phenyl-isoquinolin-1-one CAS Name: 6-methoxy-2-methyl-3-(2-methylsulfonylethoxymethyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-methoxy-2-methyl-3-(2-methylsulfonylethoxymethyl)-4-phenylisoquinolin-1-one Traditional Name: 3-(2-mesylethoxymethyl)-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COCCS(=O)(=O)C

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COCCS(=O)(=O)C

InChI

InChI=1S/C21H23NO5S/c1-22-19(14-27-11-12-28(3,24)25)20(15-7-5-4-6-8-15)18-13-16(26-2)9-10-17(18)21(22)23/h4-10,13H,11-12,14H2,1-3H3