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

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C22H20ClFN2O5S MolecularWeight: 478.921003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)Cl

InChI

InChI=1S/C22H20ClFN2O5S/c1-14-16-4-2-3-5-19(16)25-20(21(14)23)13-31-22(27)17-12-15(6-7-18(17)24)32(28,29)26-8-10-30-11-9-26/h2-7,12H,8-11,13H2,1H3