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acetamide, N-[4-[[4-[2-(4-methylphenoxy)acetyl]-1-piperazinyl]sulfonyl]phenyl]-
SpectraBase Compound ID 3gPXsrzEwNS
InChI InChI=1S/C21H25N3O5S/c1-16-3-7-19(8-4-16)29-15-21(26)23-11-13-24(14-12-23)30(27,28)20-9-5-18(6-10-20)22-17(2)25/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKey FLYIQHRWXFBSEE-UHFFFAOYSA-N
Mol Weight 431.51 g/mol
Molecular Formula C21H25N3O5S
Exact Mass 431.151492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpeHfgMDKzK
Name Acetamide, N-[4-[[4-[2-(4-methylphenoxy)acetyl]-1-piperazinyl]sulfonyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.151492086 u
Formula C21H25N3O5S
InChI InChI=1S/C21H25N3O5S/c1-16-3-7-19(8-4-16)29-15-21(26)23-11-13-24(14-12-23)30(27,28)20-9-5-18(6-10-20)22-17(2)25/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKey FLYIQHRWXFBSEE-UHFFFAOYSA-N
Molecular Weight 431.507 g/mol
SMILES N(C(=O)C)C=1C=CC(S(N2CCN(CC2)C(COC2=CC=C(C=C2)C)=O)(=O)=O)=CC1