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1-(3-Fluoro-4-(4-[(4-methylphenyl)sulfonyl]-1-piperazinyl)phenyl)-1-butanone
SpectraBase Compound ID 7GjkEZ1i2c5
InChI InChI=1S/C21H25FN2O3S/c1-3-4-21(25)17-7-10-20(19(22)15-17)23-11-13-24(14-12-23)28(26,27)18-8-5-16(2)6-9-18/h5-10,15H,3-4,11-14H2,1-2H3
InChIKey FKHYKZVXCQQVNC-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C21H25FN2O3S
Exact Mass 404.156992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dP36nRRsvf
Name 1-(3-Fluoro-4-(4-[(4-methylphenyl)sulfonyl]-1-piperazinyl)phenyl)-1-butanone
Alternate Name(s) 1-[3-fluoranyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]butan-1-one 1-[3-fluoro-4-(4-tosylpiperazino)phenyl]butan-1-one 1-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]butan-1-one 1-[3-fluoro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]butan-1-one 1-[3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl]-butan-1-one
CAS Registry Number 333751-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25FN2O3S
InChI InChI=1S/C21H25FN2O3S/c1-3-4-21(25)17-7-10-20(19(22)15-17)23-11-13-24(14-12-23)28(26,27)18-8-5-16(2)6-9-18/h5-10,15H,3-4,11-14H2,1-2H3
InChIKey FKHYKZVXCQQVNC-UHFFFAOYSA-N
Molecular Weight 404.500 g/mol
SMILES CCCC(c1ccc(N2CCN(S(c3ccc(cc3)C)(=O)=O)CC2)c(c1)F)=O
SPLASH splash10-052b-7390100000-9337317b595c2c02d4b3
Wiley ID 1462185