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2,5-Pyrrolidinedione, 1-[4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-

View entire compound with spectra: 2 NMR

2,5-Pyrrolidinedione, 1-[4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-
SpectraBase Compound ID 388IXoCdUiV
InChI InChI=1S/C20H21N3O4S/c24-19-10-11-20(25)23(19)17-6-8-18(9-7-17)28(26,27)22-14-12-21(13-15-22)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKey CXVSGRCMMBTPCL-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C20H21N3O4S
Exact Mass 399.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lcd3Ih8bRDA
Name 2,5-Pyrrolidinedione, 1-[4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.125277338 u
Formula C20H21N3O4S
InChI InChI=1S/C20H21N3O4S/c24-19-10-11-20(25)23(19)17-6-8-18(9-7-17)28(26,27)22-14-12-21(13-15-22)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKey CXVSGRCMMBTPCL-UHFFFAOYSA-N
Molecular Weight 399.465 g/mol
SMILES C=1C=CC(N2CCN(S(C3=CC=C(N4C(CCC4=O)=O)C=C3)(=O)=O)CC2)=CC1