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Piperazine, 1-(3-chlorophenyl)-4-[[1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinyl]carbonyl]-

View entire compound with spectra: 2 NMR

Piperazine, 1-(3-chlorophenyl)-4-[[1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinyl]carbonyl]-
SpectraBase Compound ID KjFPdMW9WKQ
InChI InChI=1S/C22H26ClN3O3S/c1-17-7-9-20(10-8-17)30(28,29)26-11-3-6-21(26)22(27)25-14-12-24(13-15-25)19-5-2-4-18(23)16-19/h2,4-5,7-10,16,21H,3,6,11-15H2,1H3
InChIKey VFCFNRKLGPSEED-UHFFFAOYSA-N
Mol Weight 447.98 g/mol
Molecular Formula C22H26ClN3O3S
Exact Mass 447.138341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0ES3UupiDM
Name Piperazine, 1-(3-chlorophenyl)-4-[[1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinyl]carbonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.138340580 u
Formula C22H26ClN3O3S
InChI InChI=1S/C22H26ClN3O3S/c1-17-7-9-20(10-8-17)30(28,29)26-11-3-6-21(26)22(27)25-14-12-24(13-15-25)19-5-2-4-18(23)16-19/h2,4-5,7-10,16,21H,3,6,11-15H2,1H3
InChIKey VFCFNRKLGPSEED-UHFFFAOYSA-N
Molecular Weight 447.981 g/mol
SMILES CC1=CC=C(S(N2C(C(N3CCN(CC3)C=3C=C(Cl)C=CC3)=O)CCC2)(=O)=O)C=C1