[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C21H17Cl2FN2O5S MolecularWeight: 499.339483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)Cl)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)Cl)Cl

InChI

InChI=1S/C21H17Cl2FN2O5S/c1-12-2-4-14-15(22)11-16(23)20(19(14)25-12)31-21(27)13-3-5-17(24)18(10-13)32(28,29)26-6-8-30-9-7-26/h2-5,10-11H,6-9H2,1H3