[2-oxidanylidene-6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-3-yl]phosphonic acid

Systemtic Name: [2-oxidanylidene-6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-3-yl]phosphonic acid Openeye Name: [2-oxo-6-(1-piperidylsulfonyl)-7-(trifluoromethyl)-1H-quinolin-3-yl]phosphonic acid CAS Name: [2-oxo-6-(1-piperidinylsulfonyl)-7-(trifluoromethyl)-1H-quinolin-3-yl]phosphonic acid IUPAC Name: [2-oxo-6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-3-yl]phosphonic acid Traditional Name: [2-keto-6-piperidinosulfonyl-7-(trifluoromethyl)-1H-quinolin-3-yl]phosphonic acid Formula: C15H16F3N2O6PS MolecularWeight: 440.331311

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)C=C(C(=O)N3)P(=O)(O)O)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)C=C(C(=O)N3)P(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C15H16F3N2O6PS/c16-15(17,18)10-8-11-9(6-12(14(21)19-11)27(22,23)24)7-13(10)28(25,26)20-4-2-1-3-5-20/h6-8H,1-5H2,(H,19,21)(H2,22,23,24)