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

Systemtic Name: 1-(azepan-1-yl)-2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]ethanone Formula: C23H26FNO3S MolecularWeight: 415.520843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C23H26FNO3S/c24-20-12-18-14-27-23(17-8-4-3-5-9-17)28-22(18)19(13-20)15-29-16-21(26)25-10-6-1-2-7-11-25/h3-5,8-9,12-13,23H,1-2,6-7,10-11,14-16H2/t23-/m0/s1