3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]propyl methanesulfonate

Systemtic Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]propyl methanesulfonate Openeye Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]propyl ester IUPAC Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[3-[(4-chlorobenzyl)carbamoyl]-8-fluoro-4-keto-1H-quinolin-6-yl]propyl ester Formula: C21H20ClFN2O5S MolecularWeight: 466.910303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

Isomeric SMILES

CS(=O)(=O)OCCCC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H20ClFN2O5S/c1-31(28,29)30-8-2-3-14-9-16-19(18(23)10-14)24-12-17(20(16)26)21(27)25-11-13-4-6-15(22)7-5-13/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,24,26)(H,25,27)