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1-(3-Fluoro-4-[4-(phenylsulfonyl)-1-piperazinyl]phenyl)-1-butanone
SpectraBase Compound ID 6sufEacIQQd
InChI InChI=1S/C20H23FN2O3S/c1-2-6-20(24)16-9-10-19(18(21)15-16)22-11-13-23(14-12-22)27(25,26)17-7-4-3-5-8-17/h3-5,7-10,15H,2,6,11-14H2,1H3
InChIKey BWRFYUFVNHYVJN-UHFFFAOYSA-N
Mol Weight 390.47 g/mol
Molecular Formula C20H23FN2O3S
Exact Mass 390.141342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EH3WVsugQBe
Name 1-(3-Fluoro-4-[4-(phenylsulfonyl)-1-piperazinyl]phenyl)-1-butanone
CAS Registry Number 333751-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23FN2O3S
InChI InChI=1S/C20H23FN2O3S/c1-2-6-20(24)16-9-10-19(18(21)15-16)22-11-13-23(14-12-22)27(25,26)17-7-4-3-5-8-17/h3-5,7-10,15H,2,6,11-14H2,1H3
InChIKey BWRFYUFVNHYVJN-UHFFFAOYSA-N
Molecular Weight 390.473 g/mol
SMILES c1ccc(S(N2CCN(CC2)c2c(cc(cc2)C(=O)CCC)F)(=O)=O)cc1
SPLASH splash10-0a6s-9330000000-abe2bd6034f7b48bbb76
Synonyms 1-[3-fluoranyl-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]butan-1-one 1-[4-(4-besylpiperazino)-3-fluoro-phenyl]butan-1-one 1-[4-[4-(benzenesulfonyl)-1-piperazinyl]-3-fluorophenyl]-1-butanone 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-3-fluoro-phenyl]butan-1-one Butan-1-one, 1-[3-fluoro-4-(4-phenylsulfonyl-1-piperazinyl)phenyl]-
Wiley ID 1457499