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benzenesulfonamide, 4-bromo-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-N-(phenylmethyl)-
SpectraBase Compound ID 1rEuva7NWzC
InChI InChI=1S/C25H26BrN3O3S/c26-22-11-13-24(14-12-22)33(31,32)29(19-21-7-3-1-4-8-21)20-25(30)28-17-15-27(16-18-28)23-9-5-2-6-10-23/h1-14H,15-20H2
InChIKey BCTXCNJYKJPUDZ-UHFFFAOYSA-N
Mol Weight 528.47 g/mol
Molecular Formula C25H26BrN3O3S
Exact Mass 527.087826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArFBC7KJslw
Name Benzenesulfonamide, 4-bromo-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-N-(phenylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.087825880 u
Formula C25H26BrN3O3S
InChI InChI=1S/C25H26BrN3O3S/c26-22-11-13-24(14-12-22)33(31,32)29(19-21-7-3-1-4-8-21)20-25(30)28-17-15-27(16-18-28)23-9-5-2-6-10-23/h1-14H,15-20H2
InChIKey BCTXCNJYKJPUDZ-UHFFFAOYSA-N
Molecular Weight 528.465 g/mol
SMILES C=1C=CC(N2CCN(C(CN(S(C=3C=CC(=CC3)Br)(=O)=O)CC3=CC=CC=C3)=O)CC2)=CC1