tert-butyl 3-[[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]sulfonylamino]propanoate

Systemtic Name: tert-butyl 3-[[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]sulfonylamino]propanoate Openeye Name: tert-butyl 3-[[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]sulfonylamino]propanoate CAS Name: 3-[[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]sulfonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]sulfonylamino]propanoate Traditional Name: 3-[[3-[(4-chlorobenzyl)carbamoyl]-8-fluoro-4-keto-1H-quinolin-6-yl]sulfonylamino]propionic acid tert-butyl ester Formula: C24H25ClFN3O6S MolecularWeight: 537.988203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

Isomeric SMILES

CC(C)(C)OC(=O)CCNS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C24H25ClFN3O6S/c1-24(2,3)35-20(30)8-9-29-36(33,34)16-10-17-21(19(26)11-16)27-13-18(22(17)31)23(32)28-12-14-4-6-15(25)7-5-14/h4-7,10-11,13,29H,8-9,12H2,1-3H3,(H,27,31)(H,28,32)