1H-azepine, 1-[2-fluoro-5-[4-[(4-methylphenyl)sulfonyl]-1-piperazinyl]-4-nitrophenyl]hexahydro-

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	8mL5NRvn9g8
Name	1-[2-fluoranyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitro-phenyl]azepane
Alternate Name(s)	1-[2-fluoro-4-nitro-5-(4-tosylpiperazino)phenyl]azepane 1-[2-fluoro-4-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]azepane 1-[2-fluoro-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitrophenyl]azepane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES	C1CCN(c2cc(c(N(=O)=O)cc2F)N2CCN(S(c3ccc(cc3)C)(=O)=O)CC2)CCC1
SPLASH	splash10-052f-9530000000-4d6d746d358c6c22303c
Wiley ID	1452282