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3H-1,5-Benzodiazepin-3-one, 1,2,4,5-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID GjXnnRlh6t4
InChI InChI=1S/C23H22N2O5S2/c1-17-7-11-20(12-8-17)31(27,28)24-15-19(26)16-25(23-6-4-3-5-22(23)24)32(29,30)21-13-9-18(2)10-14-21/h3-14H,15-16H2,1-2H3
InChIKey IRZZSZFIWQUIKK-UHFFFAOYSA-N
Mol Weight 470.56 g/mol
Molecular Formula C23H22N2O5S2
Exact Mass 470.097014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDvN8tWQV4m
Name 3H-1,5-Benzodiazepin-3-one, 1,2,4,5-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-
CAS Registry Number 1179-18-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O5S2
InChI InChI=1S/C23H22N2O5S2/c1-17-7-11-20(12-8-17)31(27,28)24-15-19(26)16-25(23-6-4-3-5-22(23)24)32(29,30)21-13-9-18(2)10-14-21/h3-14H,15-16H2,1-2H3
InChIKey IRZZSZFIWQUIKK-UHFFFAOYSA-N
Molecular Weight 470.558 g/mol
SMILES c12N(S(c3ccc(cc3)C)(=O)=O)CC(CN(c1cccc2)S(c1ccc(cc1)C)(=O)=O)=O
SPLASH splash10-001i-0920000000-5e23e1bedbc341f62f6f
Source of Spectrum O-2-343-21
Synonyms 1,5-bis[(4-methylphenyl)sulfonyl]-1,2,4,5-tetrahydro-3H-1,5-benzodiazepin-3-one 3,7-Ditosyl-1,2-benzo-3,7-diazacyclohepten-5-one 3H-1,5-benzodiazepin-3-one, 1,2,4,5-tetrahydro-1,5-bis(p-tolylsulfonyl)-
Wiley ID 1392749