tert-butyl N-[1-[8-chloranyl-1-cyclopropyl-6-fluoranyl-3-(2-methylsulfonylethanoyl)-4-oxidanylidene-quinolin-7-yl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[8-chloranyl-1-cyclopropyl-6-fluoranyl-3-(2-methylsulfonylethanoyl)-4-oxidanylidene-quinolin-7-yl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[8-chloro-1-cyclopropyl-6-fluoro-3-(2-methylsulfonylacetyl)-4-oxo-7-quinolyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[8-chloro-1-cyclopropyl-6-fluoro-3-(2-methylsulfonyl-1-oxoethyl)-4-oxo-7-quinolinyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[8-chloro-1-cyclopropyl-6-fluoro-3-(2-methylsulfonylacetyl)-4-oxoquinolin-7-yl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[8-chloro-1-cyclopropyl-6-fluoro-4-keto-3-(2-mesylacetyl)-7-quinolyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C24H29ClFN3O6S MolecularWeight: 542.019963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)CS(=O)(=O)C)C4CC4)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)CS(=O)(=O)C)C4CC4)F

InChI

InChI=1S/C24H29ClFN3O6S/c1-24(2,3)35-23(32)27-13-7-8-28(10-13)21-17(26)9-15-20(19(21)25)29(14-5-6-14)11-16(22(15)31)18(30)12-36(4,33)34/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,27,32)