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acetamide, N-[4-[[4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1-piperazinyl]sulfonyl]phenyl]-
SpectraBase Compound ID 7uhJTmIXI8R
InChI InChI=1S/C23H26N6O5S/c1-16-14-17(2)28(25-16)23-15-20(6-9-22(23)29(31)32)26-10-12-27(13-11-26)35(33,34)21-7-4-19(5-8-21)24-18(3)30/h4-9,14-15H,10-13H2,1-3H3,(H,24,30)
InChIKey VDTDFFNIYOIPTH-UHFFFAOYSA-N
Mol Weight 498.56 g/mol
Molecular Formula C23H26N6O5S
Exact Mass 498.168539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3YRTIh4PhY
Name N-[4-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide
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Formula C23H26N6O5S
InChI InChI=1S/C23H26N6O5S/c1-16-14-17(2)28(25-16)23-15-20(6-9-22(23)29(31)32)26-10-12-27(13-11-26)35(33,34)21-7-4-19(5-8-21)24-18(3)30/h4-9,14-15H,10-13H2,1-3H3,(H,24,30)
InChIKey VDTDFFNIYOIPTH-UHFFFAOYSA-N
Molecular Weight 498.558 g/mol
SMILES N(C(=O)C)c1ccc(S(N2CCN(c3cc(-[n]4nc(C)cc4C)c(N(=O)=O)cc3)CC2)(=O)=O)cc1
SPLASH splash10-0a4l-9211000000-1febb24c9ed2009c4fcd
Synonyms N-[4-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide N-[4-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide N-[4-[[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide
Wiley ID 1463995