2-fluoranyl-5-[4-(trifluoromethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-fluoranyl-5-[4-(trifluoromethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-fluoro-5-[[4-(trifluoromethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-fluoro-5-[[4-(trifluoromethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-fluoro-5-[4-(trifluoromethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-fluoro-5-[4-(trifluoromethyl)piperidino]sulfonyl-benzoic acid Formula: C13H13F4NO4S MolecularWeight: 355.305233

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

C1CN(CCC1C(F)(F)F)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C13H13F4NO4S/c14-11-2-1-9(7-10(11)12(19)20)23(21,22)18-5-3-8(4-6-18)13(15,16)17/h1-2,7-8H,3-6H2,(H,19,20)