(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C22H20ClFN2O6S MolecularWeight: 494.920403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)Cl

InChI

InChI=1S/C22H20ClFN2O6S/c1-30-16-3-2-14-10-15(21(23)25-20(14)11-16)13-32-22(27)18-12-17(4-5-19(18)24)33(28,29)26-6-8-31-9-7-26/h2-5,10-12H,6-9,13H2,1H3