1-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]isonipecotic acid Formula: C19H22ClF3N2O5S MolecularWeight: 482.90159

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H22ClF3N2O5S/c20-16-2-1-14(11-15(16)19(21,22)23)31(29,30)25-9-5-12(6-10-25)17(26)24-7-3-13(4-8-24)18(27)28/h1-2,11-13H,3-10H2,(H,27,28)