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4-Nitro-N-(4-nitrophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
SpectraBase Compound ID KFDZWKMwg0l
InChI InChI=1S/C22H21N3O8S2/c1-17(7-8-18-5-3-2-4-6-18)25(34(30,31)21-13-9-19(10-14-21)23(26)27)35(32,33)22-15-11-20(12-16-22)24(28)29/h2-6,9-17H,7-8H2,1H3/t17-/m1/s1
InChIKey KWAGKUOJFKFALW-QGZVFWFLSA-N
Mol Weight 519.54 g/mol
Molecular Formula C22H21N3O8S2
Exact Mass 519.077007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tL65FDteG4
Name 4-Nitro-N-(4-nitrophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O8S2
InChI InChI=1S/C22H21N3O8S2/c1-17(7-8-18-5-3-2-4-6-18)25(34(30,31)21-13-9-19(10-14-21)23(26)27)35(32,33)22-15-11-20(12-16-22)24(28)29/h2-6,9-17H,7-8H2,1H3/t17-/m1/s1
InChIKey KWAGKUOJFKFALW-QGZVFWFLSA-N
Molecular Weight 519.543 g/mol
SMILES c1(S(N(S(c2ccc(N(=O)=O)cc2)(=O)=O)[C@@](CCc2ccccc2)(C)[H])(=O)=O)ccc(N(=O)=O)cc1
SPLASH splash10-003u-2930000000-902b088b8be835fc9445
Source of Spectrum QC-8-2191-2
Synonyms N-[(1R)-1-methyl-3-phenyl-propyl]-4-nitro-N-nosyl-benzenesulfonamide
Wiley ID 870075