2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-piperidino-ethanone Formula: C22H24FNO3S MolecularWeight: 401.494263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C22H24FNO3S/c23-19-11-17-13-26-22(16-7-3-1-4-8-16)27-21(17)18(12-19)14-28-15-20(25)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,22H,2,5-6,9-10,13-15H2/t22-/m0/s1