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1-piperazineacetamide, N-[4-(aminocarbonyl)phenyl]-4-[(5-chloro-2-methoxyphenyl)sulfonyl]-
SpectraBase Compound ID 1vxI92g69JN
InChI InChI=1S/C20H23ClN4O5S/c1-30-17-7-4-15(21)12-18(17)31(28,29)25-10-8-24(9-11-25)13-19(26)23-16-5-2-14(3-6-16)20(22)27/h2-7,12H,8-11,13H2,1H3,(H2,22,27)(H,23,26)
InChIKey UQNNNGQMUNKTET-UHFFFAOYSA-N
Mol Weight 466.94 g/mol
Molecular Formula C20H23ClN4O5S
Exact Mass 466.107769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ll7yEgDd2ZT
Name 1-Piperazineacetamide, N-[4-(aminocarbonyl)phenyl]-4-[(5-chloro-2-methoxyphenyl)sulfonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.107768726 u
Formula C20H23ClN4O5S
InChI InChI=1S/C20H23ClN4O5S/c1-30-17-7-4-15(21)12-18(17)31(28,29)25-10-8-24(9-11-25)13-19(26)23-16-5-2-14(3-6-16)20(22)27/h2-7,12H,8-11,13H2,1H3,(H2,22,27)(H,23,26)
InChIKey UQNNNGQMUNKTET-UHFFFAOYSA-N
Molecular Weight 466.940 g/mol
SMILES N(C(CN1CCN(S(C=2C=C(Cl)C=CC2OC)(=O)=O)CC1)=O)C1=CC=C(C(=O)N)C=C1