2-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]quinoline-6-sulfonamide

Systemtic Name: 2-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]quinoline-6-sulfonamide Openeye Name: 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl]quinoline-6-sulfonamide CAS Name: 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidinyl]-6-quinolinesulfonamide IUPAC Name: 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]quinoline-6-sulfonamide Traditional Name: 2-[1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-keto-3-piperidyl]quinoline-6-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)C4=NC5=C(C=C4)C=C(C=C5)S(=O)(=O)N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)C4=NC5=C(C=C4)C=C(C=C5)S(=O)(=O)N)F

InChI

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