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1,2,3-Benzotriazine, benzenesulfonamide deriv.
SpectraBase Compound ID 5DcaaIro4pZ
InChI InChI=1S/C21H18N4O5S2/c1-15-7-11-17(12-8-15)31(27,28)25(32(29,30)18-13-9-16(2)10-14-18)24-21(26)19-5-3-4-6-20(19)22-23-24/h3-14H,1-2H3
InChIKey LVAUWEYXYXYFQY-UHFFFAOYSA-N
Mol Weight 470.52 g/mol
Molecular Formula C21H18N4O5S2
Exact Mass 470.071862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu7tfBolnCJ
Name 1,2,3-Benzotriazine, benzenesulfonamide deriv.
CAS Registry Number 111635-82-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O5S2
InChI InChI=1S/C21H18N4O5S2/c1-15-7-11-17(12-8-15)31(27,28)25(32(29,30)18-13-9-16(2)10-14-18)24-21(26)19-5-3-4-6-20(19)22-23-24/h3-14H,1-2H3
InChIKey LVAUWEYXYXYFQY-UHFFFAOYSA-N
Molecular Weight 470.518 g/mol
SMILES c12N=NN(N(S(c3ccc(cc3)C)(=O)=O)S(c3ccc(cc3)C)(=O)=O)C(c2cccc1)=O
SPLASH splash10-0ug3-8900000000-20b8c0c92bb349a8d18f
Source of Spectrum J-53-210-12
Synonyms Benzenesulfonamide, 4-methyl-N-[(4-methylphenyl)sulfonyl]-N-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)- 3-[N,N-bis(p-tolylsulfonyl)amino]-1,2,3-benzotriazin-4(3H)-one 4-Methyl-N-[(4-methylphenyl)sulfonyl]-N-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzenesulfonamide
Wiley ID 1392730