N-[7-cyano-5-(5-fluoranyl-2-methoxy-phenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-N-methylsulfonyl-methanesulfonamide

Systemtic Name: N-[7-cyano-5-(5-fluoranyl-2-methoxy-phenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-[7-cyano-5-(5-fluoro-2-methoxy-phenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-N-methylsulfonyl-methanesulfonamide CAS Name: N-[7-cyano-5-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-[7-cyano-5-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-N-methylsulfonylmethanesulfonamide Traditional Name: N-[7-cyano-5-(5-fluoro-2-methoxy-phenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-N-mesyl-methanesulfonamide Formula: C20H22FN3O5S2 MolecularWeight: 467.534183

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=C(C(=C2C1)N(S(=O)(=O)C)S(=O)(=O)C)C#N)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CN1CCC2=C(C=C(C(=C2C1)N(S(=O)(=O)C)S(=O)(=O)C)C#N)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C20H22FN3O5S2/c1-23-8-7-15-16(17-10-14(21)5-6-19(17)29-2)9-13(11-22)20(18(15)12-23)24(30(3,25)26)31(4,27)28/h5-6,9-10H,7-8,12H2,1-4H3