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1-(4-Methylphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine
SpectraBase Compound ID 6mtLMA4znrC
InChI InChI=1S/C21H26N4O4S/c1-17-4-7-19(8-5-17)30(28,29)24-14-12-22(13-15-24)18-6-9-20(25(26)27)21(16-18)23-10-2-3-11-23/h4-9,16H,2-3,10-15H2,1H3
InChIKey DVURWEUNPUBOEX-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 Hnh2Ei06Vo1
Name 1-(4-Methylphenyl)sulfonyl-4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N4O4S
InChI InChI=1S/C21H26N4O4S/c1-17-4-7-19(8-5-17)30(28,29)24-14-12-22(13-15-24)18-6-9-20(25(26)27)21(16-18)23-10-2-3-11-23/h4-9,16H,2-3,10-15H2,1H3
InChIKey DVURWEUNPUBOEX-UHFFFAOYSA-N
Molecular Weight 430.523 g/mol
SMILES C1CN(c2cc(N3CCN(S(c4ccc(cc4)C)(=O)=O)CC3)ccc2N(=O)=O)CC1
SPLASH splash10-0btc-8950200000-1f58969c056fe34ef1da
Synonyms 1-(4-Methylphenyl)sulfonyl-4-[4-nitro-3-(1-pyrrolidinyl)phenyl]piperazine 1-(4-nitro-3-pyrrolidin-1-yl-phenyl)-4-(p-tolylsulfonyl)piperazine 1-(4-nitro-3-pyrrolidino-phenyl)-4-tosyl-piperazine
Wiley ID 1455091