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N-benzoyl-N-(phenylsulfonyl)-1,4-diamino-3-(1,1-bis-(methoxycarbonyl)methyl)benzene
SpectraBase Compound ID 2N1PljnCveG
InChI InChI=1S/C24H22N2O7S/c1-32-23(28)21(24(29)33-2)19-15-17(25)13-14-20(19)26(22(27)16-9-5-3-6-10-16)34(30,31)18-11-7-4-8-12-18/h3-15,21H,25H2,1-2H3
InChIKey GFJGLQTWUUFUCL-UHFFFAOYSA-N
Mol Weight 482.51 g/mol
Molecular Formula C24H22N2O7S
Exact Mass 482.114772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JakgrVwwEx0
Name N-benzoyl-N-(phenylsulfonyl)-1,4-diamino-3-(1,1-bis-(methoxycarbonyl)methyl)benzene
CAS Registry Number 124400-42-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2O7S
InChI InChI=1S/C24H22N2O7S/c1-32-23(28)21(24(29)33-2)19-15-17(25)13-14-20(19)26(22(27)16-9-5-3-6-10-16)34(30,31)18-11-7-4-8-12-18/h3-15,21H,25H2,1-2H3
InChIKey GFJGLQTWUUFUCL-UHFFFAOYSA-N
Molecular Weight 482.507 g/mol
SMILES Nc1ccc(N(S(=O)(=O)c2ccccc2)C(=O)c2ccccc2)c(C(C(=O)OC)C(=O)OC)c1
SPLASH splash10-0a4i-3920100000-ffc8000c5220e7850559
Source of Spectrum J-55-1385-8
Synonyms Dimethyl 2-{5-amino-2-[benzoyl(phenylsulfonyl)amino]phenyl}malonate
Wiley ID 1395561