N-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]quinoline-3-sulfonamide

Systemtic Name: N-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]quinoline-3-sulfonamide Openeye Name: N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl]quinoline-3-sulfonamide CAS Name: N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidinyl]-3-quinolinesulfonamide IUPAC Name: N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]quinoline-3-sulfonamide Traditional Name: N-[1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-keto-3-piperidyl]quinoline-3-sulfonamide Formula: C27H24FN3O5S2 MolecularWeight: 553.624963

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)NS(=O)(=O)C4=CC5=CC=CC=C5N=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)NS(=O)(=O)C4=CC5=CC=CC=C5N=C4)F

InChI

InChI=1S/C27H24FN3O5S2/c1-37(33,34)26-11-5-3-8-21(26)18-12-13-25(22(28)16-18)31-14-6-10-24(27(31)32)30-38(35,36)20-15-19-7-2-4-9-23(19)29-17-20/h2-5,7-9,11-13,15-17,24,30H,6,10,14H2,1H3