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1-(4-nitro-3-piperidin-1-yl-phenyl)-4-(phenylsulfonyl)piperazine
SpectraBase Compound ID C9EKHzkKbLL
InChI InChI=1S/C21H26N4O4S/c26-25(27)20-10-9-18(17-21(20)23-11-5-2-6-12-23)22-13-15-24(16-14-22)30(28,29)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2
InChIKey LVTUFACNKPBMPW-UHFFFAOYSA-N
Mol Weight 430.52 g/mol
Molecular Formula C21H26N4O4S
Exact Mass 430.167477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp8ZBY0FiPl
Name 1-(4-nitro-3-piperidin-1-yl-phenyl)-4-(phenylsulfonyl)piperazine
Alternate Name(s) 1-(benzenesulfonyl)-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazine 1-(benzenesulfonyl)-4-[4-nitro-3-(1-piperidyl)phenyl]piperazine 1-besyl-4-(4-nitro-3-piperidino-phenyl)piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N4O4S
InChI InChI=1S/C21H26N4O4S/c26-25(27)20-10-9-18(17-21(20)23-11-5-2-6-12-23)22-13-15-24(16-14-22)30(28,29)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2
InChIKey LVTUFACNKPBMPW-UHFFFAOYSA-N
Molecular Weight 430.523 g/mol
SMILES c1ccc(S(N2CCN(CC2)c2cc(N3CCCCC3)c(cc2)N(=O)=O)(=O)=O)cc1
SPLASH splash10-08fr-9850400000-4132a67dcbb5eb431fc8
Wiley ID 1455092