1-[2-Fluoranyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitro-phenyl]azepane

SpectraBase Compound ID	96kiTVMEOpU
InChI	InChI=1S/C23H29FN4O4S/c1-18-6-8-19(9-7-18)33(31,32)27-14-12-26(13-15-27)22-17-21(20(24)16-23(22)28(29)30)25-10-4-2-3-5-11-25/h6-9,16-17H,2-5,10-15H2,1H3
InChIKey	PAWGZZOKBSYJBZ-UHFFFAOYSA-N Google Search
Mol Weight	476.57 g/mol
Molecular Formula	C23H29FN4O4S
Exact Mass	476.189355 g/mol

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SpectraBase Spectrum ID	9RV1KCVm8y4
Name	1H-azepine, 1-[2-fluoro-5-[4-[(4-methylphenyl)sulfonyl]-1-piperazinyl]-4-nitrophenyl]hexahydro-
Copyright	Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	476.189354763 u
Formula	C23H29FN4O4S
InChI	InChI=1S/C23H29FN4O4S/c1-18-6-8-19(9-7-18)33(31,32)27-14-12-26(13-15-27)22-17-21(20(24)16-23(22)28(29)30)25-10-4-2-3-5-11-25/h6-9,16-17H,2-5,10-15H2,1H3
InChIKey	PAWGZZOKBSYJBZ-UHFFFAOYSA-N
Molecular Weight	476.567 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_18185
Solvent	DMSO-d6
Source	Vendor ID: NMR/11252807; Lab Info: LIP; Lab Number: LIP-0501741