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N-{4-[(acetylamino)sulfonyl]phenyl}-9H-xanthene-9-carboxamide

View entire compound with spectra: 2 NMR

N-{4-[(acetylamino)sulfonyl]phenyl}-9H-xanthene-9-carboxamide
SpectraBase Compound ID 7qWcfCkBP52
InChI InChI=1S/C22H18N2O5S/c1-14(25)24-30(27,28)16-12-10-15(11-13-16)23-22(26)21-17-6-2-4-8-19(17)29-20-9-5-3-7-18(20)21/h2-13,21H,1H3,(H,23,26)(H,24,25)
InChIKey JBUNAWNJEZPQEB-UHFFFAOYSA-N
Mol Weight 422.46 g/mol
Molecular Formula C22H18N2O5S
Exact Mass 422.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1quIHBOOk81
Name N-{4-[(Acetylamino)sulfonyl]phenyl}-9H-xanthene-9-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.093642857 u
Formula C22H18N2O5S
InChI InChI=1S/C22H18N2O5S/c1-14(25)24-30(27,28)16-12-10-15(11-13-16)23-22(26)21-17-6-2-4-8-19(17)29-20-9-5-3-7-18(20)21/h2-13,21H,1H3,(H,23,26)(H,24,25)
InChIKey JBUNAWNJEZPQEB-UHFFFAOYSA-N
Molecular Weight 422.455 g/mol
SMILES N(C(C1C2=C(C=CC=C2)OC2=C1C=CC=C2)=O)C1=CC=C(S(NC(=O)C)(=O)=O)C=C1