1-ethyl-6-fluoranyl-4-oxidanylidene-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-3-carboxamide

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-3-carboxamide Openeye Name: 1-ethyl-6-fluoro-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-3-carboxamide CAS Name: 1-ethyl-6-fluoro-4-oxo-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-quinolinecarboxamide IUPAC Name: 1-ethyl-6-fluoro-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-3-carboxamide Traditional Name: 1-ethyl-6-fluoro-4-keto-N-(4-pyrrolidinosulfonylphenyl)quinoline-3-carboxamide Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22FN3O4S/c1-2-25-14-19(21(27)18-13-15(23)5-10-20(18)25)22(28)24-16-6-8-17(9-7-16)31(29,30)26-11-3-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,28)