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3-(4-Benzhydryl-1-piperazinyl)-1-[4-(4-morpholinylsulfonyl)phenyl]-2,5-pyrrolidinedione

View entire compound with spectra: 2 NMR

3-(4-Benzhydryl-1-piperazinyl)-1-[4-(4-morpholinylsulfonyl)phenyl]-2,5-pyrrolidinedione
SpectraBase Compound ID 6cy19e79ZKL
InChI InChI=1S/C31H34N4O5S/c36-29-23-28(31(37)35(29)26-11-13-27(14-12-26)41(38,39)34-19-21-40-22-20-34)32-15-17-33(18-16-32)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,28,30H,15-23H2
InChIKey LJSOYWRKLBQFFM-UHFFFAOYSA-N
Mol Weight 574.7 g/mol
Molecular Formula C31H34N4O5S
Exact Mass 574.224991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxtfHeroClO
Name 3-(4-Benzhydryl-1-piperazinyl)-1-[4-(4-morpholinylsulfonyl)phenyl]-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 574.224991380 u
Formula C31H34N4O5S
InChI InChI=1S/C31H34N4O5S/c36-29-23-28(31(37)35(29)26-11-13-27(14-12-26)41(38,39)34-19-21-40-22-20-34)32-15-17-33(18-16-32)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,28,30H,15-23H2
InChIKey LJSOYWRKLBQFFM-UHFFFAOYSA-N
Molecular Weight 574.696 g/mol
SMILES C=1C=CC(C(N2CCN(C3C(N(C4=CC=C(S(N5CCOCC5)(=O)=O)C=C4)C(C3)=O)=O)CC2)C2=CC=CC=C2)=CC1