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4-[2-(1-benzyl-1-hydroxy-3-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]benzenesulfonamide

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4-[2-(1-benzyl-1-hydroxy-3-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]benzenesulfonamide
SpectraBase Compound ID Dzgtp9ELxV3
InChI InChI=1S/C23H22N2O4S/c24-30(28,29)19-12-10-17(11-13-19)14-15-25-22(26)20-8-4-5-9-21(20)23(25,27)16-18-6-2-1-3-7-18/h1-13,27H,14-16H2,(H2,24,28,29)
InChIKey NYZPSHAVRFGBCJ-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C23H22N2O4S
Exact Mass 422.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wLH6Muf0iR
Name 4-[2-(1-Benzyl-1-hydroxy-3-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.130028366 u
Formula C23H22N2O4S
InChI InChI=1S/C23H22N2O4S/c24-30(28,29)19-12-10-17(11-13-19)14-15-25-22(26)20-8-4-5-9-21(20)23(25,27)16-18-6-2-1-3-7-18/h1-13,27H,14-16H2,(H2,24,28,29)
InChIKey NYZPSHAVRFGBCJ-UHFFFAOYSA-N
Molecular Weight 422.499 g/mol
SMILES NS(C1=CC=C(CCN2C(C3=CC=CC=C3C2=O)(CC2=CC=CC=C2)O)C=C1)(=O)=O