5-[3,5-bis(trifluoromethyl)piperidin-1-yl]sulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-[3,5-bis(trifluoromethyl)piperidin-1-yl]sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[[3,5-bis(trifluoromethyl)-1-piperidyl]sulfonyl]-2-fluoro-benzoic acid CAS Name: 5-[[3,5-bis(trifluoromethyl)-1-piperidinyl]sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[3,5-bis(trifluoromethyl)piperidin-1-yl]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-[3,5-bis(trifluoromethyl)piperidino]sulfonyl-2-fluoro-benzoic acid Formula: C14H12F7NO4S MolecularWeight: 423.303202

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1C(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)C(F)(F)F

Isomeric SMILES

C1C(CN(CC1C(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H12F7NO4S/c15-11-2-1-9(4-10(11)12(23)24)27(25,26)22-5-7(13(16,17)18)3-8(6-22)14(19,20)21/h1-2,4,7-8H,3,5-6H2,(H,23,24)