2-oxidanylidene-3-(pyridin-2-ylmethyl)-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-pentanal

Systemtic Name: 2-oxidanylidene-3-(pyridin-2-ylmethyl)-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-pentanal Openeye Name: 2-oxo-3-(2-pyridylmethyl)-3-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonyl]pentanal CAS Name: 2-oxo-3-(2-pyridinylmethyl)-3-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonyl]pentanal IUPAC Name: 2-oxo-3-(pyridin-2-ylmethyl)-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpentanal Traditional Name: 2-keto-3-(2-pyridylmethyl)-3-[4-[4-(trifluoromethyl)phenoxy]piperidino]sulfonyl-valeraldehyde Formula: C23H25F3N2O5S MolecularWeight: 498.51521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=N1)(C(=O)C=O)S(=O)(=O)N2CCC(CC2)OC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC(CC1=CC=CC=N1)(C(=O)C=O)S(=O)(=O)N2CCC(CC2)OC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H25F3N2O5S/c1-2-22(21(30)16-29,15-18-5-3-4-12-27-18)34(31,32)28-13-10-20(11-14-28)33-19-8-6-17(7-9-19)23(24,25)26/h3-9,12,16,20H,2,10-11,13-15H2,1H3