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4-[5-Chloro-1-(pyridin-2-yl)-1H-indol-2-yl]-3,4-dihydrobenzo[e][1,2,3]oxathiazine 2,2-dioxide
SpectraBase Compound ID 7TisB1mLEmU
InChI InChI=1S/C20H14ClN3O3S/c21-14-8-9-16-13(11-14)12-17(24(16)19-7-3-4-10-22-19)20-15-5-1-2-6-18(15)27-28(25,26)23-20/h1-12,20,23H
InChIKey IDAAMAZYJVGZCY-UHFFFAOYSA-N
Mol Weight 411.86 g/mol
Molecular Formula C20H14ClN3O3S
Exact Mass 411.04444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FnqyjCWrw
Name 4-[5-Chloro-1-(pyridin-2-yl)-1H-indol-2-yl]-3,4-dihydrobenzo[e][1,2,3]oxathiazine 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClN3O3S
InChI InChI=1S/C20H14ClN3O3S/c21-14-8-9-16-13(11-14)12-17(24(16)19-7-3-4-10-22-19)20-15-5-1-2-6-18(15)27-28(25,26)23-20/h1-12,20,23H
InChIKey IDAAMAZYJVGZCY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol500918t
Molecular Weight 411.863 g/mol
SMILES N1C(c2c(OS1(=O)=O)cccc2)c1[n](c2c(c1)cc(cc2)Cl)-c1ncccc1
SPLASH splash10-004i-9000000000-5669b68306e16bc7f34d
Source of Spectrum A1-16-2538/SMS7-3n
Wiley ID 1749512