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

Systemtic Name: 2-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]quinoline-3-sulfonamide Openeye Name: 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl]quinoline-3-sulfonamide CAS Name: 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidinyl]-3-quinolinesulfonamide IUPAC Name: 2-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]quinoline-3-sulfonamide Traditional Name: 2-[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)C4=NC5=CC=CC=C5C=C4S(=O)(=O)N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)C4=NC5=CC=CC=C5C=C4S(=O)(=O)N)F

InChI

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