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benzenesulfonamide, 4-bromo-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-N-(phenylmethyl)-
SpectraBase Compound ID CPygraRPMC7
InChI InChI=1S/C26H28BrN3O4S/c1-34-25-10-6-5-9-24(25)28-15-17-29(18-16-28)26(31)20-30(19-21-7-3-2-4-8-21)35(32,33)23-13-11-22(27)12-14-23/h2-14H,15-20H2,1H3
InChIKey AZEGDOUPYCRDCM-UHFFFAOYSA-N
Mol Weight 558.49 g/mol
Molecular Formula C26H28BrN3O4S
Exact Mass 557.098391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8K6GK64GNbr
Name Benzenesulfonamide, 4-bromo-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-N-(phenylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 557.098390564 u
Formula C26H28BrN3O4S
InChI InChI=1S/C26H28BrN3O4S/c1-34-25-10-6-5-9-24(25)28-15-17-29(18-16-28)26(31)20-30(19-21-7-3-2-4-8-21)35(32,33)23-13-11-22(27)12-14-23/h2-14H,15-20H2,1H3
InChIKey AZEGDOUPYCRDCM-UHFFFAOYSA-N
Molecular Weight 558.491 g/mol
SMILES C=1C=CC(CN(S(C2=CC=C(C=C2)Br)(=O)=O)CC(N2CCN(CC2)C2=C(OC)C=CC=C2)=O)=CC1