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2,5-Pyrrolidinedione, 1-phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-

View entire compound with spectra: 2 NMR

2,5-Pyrrolidinedione, 1-phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-
SpectraBase Compound ID cIHOtlkgrP
InChI InChI=1S/C20H21N3O4S/c24-19-15-18(20(25)23(19)16-7-3-1-4-8-16)21-11-13-22(14-12-21)28(26,27)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKey SABICFKQWDLUMQ-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 AKstCyyUeiO
Name 2,5-Pyrrolidinedione, 1-phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-
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/c24-19-15-18(20(25)23(19)16-7-3-1-4-8-16)21-11-13-22(14-12-21)28(26,27)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKey SABICFKQWDLUMQ-UHFFFAOYSA-N
Molecular Weight 399.465 g/mol
SMILES C=1C=CC(S(N2CCN(C3C(N(C4=CC=CC=C4)C(C3)=O)=O)CC2)(=O)=O)=CC1