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acetamide, N-[4-[[3-oxo-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-piperazinyl]sulfonyl]phenyl]-
SpectraBase Compound ID v7CZJBgNFm
InChI InChI=1S/C24H29N5O5S/c1-18(30)26-19-7-9-21(10-8-19)35(33,34)29-12-11-25-24(32)22(29)17-23(31)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h2-10,22H,11-17H2,1H3,(H,25,32)(H,26,30)
InChIKey DKRMKHJLVIGSAG-UHFFFAOYSA-N
Mol Weight 499.59 g/mol
Molecular Formula C24H29N5O5S
Exact Mass 499.18894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3778AChs1J
Name Acetamide, N-[4-[[3-oxo-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-piperazinyl]sulfonyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.188940223 u
Formula C24H29N5O5S
InChI InChI=1S/C24H29N5O5S/c1-18(30)26-19-7-9-21(10-8-19)35(33,34)29-12-11-25-24(32)22(29)17-23(31)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h2-10,22H,11-17H2,1H3,(H,25,32)(H,26,30)
InChIKey DKRMKHJLVIGSAG-UHFFFAOYSA-N
Molecular Weight 499.586 g/mol
SMILES N(C(=O)C)C=1C=CC(S(N2CCNC(C2CC(N2CCN(CC2)C2=CC=CC=C2)=O)=O)(=O)=O)=CC1