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2-[(4-Methylphenyl)sulfonyl-(phenylmethyl)amino]-2-phenyl-ethanoic acid
SpectraBase Compound ID 4cqmoPPMUIf
InChI InChI=1S/C22H21NO4S/c1-17-12-14-20(15-13-17)28(26,27)23(16-18-8-4-2-5-9-18)21(22(24)25)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,24,25)
InChIKey DFENPZJVAUERBR-UHFFFAOYSA-N
Mol Weight 395.47 g/mol
Molecular Formula C22H21NO4S
Exact Mass 395.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26TsfVMsfQ
Name 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-2-phenyl-ethanoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO4S
InChI InChI=1S/C22H21NO4S/c1-17-12-14-20(15-13-17)28(26,27)23(16-18-8-4-2-5-9-18)21(22(24)25)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,24,25)
InChIKey DFENPZJVAUERBR-UHFFFAOYSA-N
Molecular Weight 395.473 g/mol
SMILES OC(C(N(S(c1ccc(cc1)C)(=O)=O)Cc1ccccc1)c1ccccc1)=O
SPLASH splash10-0k96-6932000000-57b5770a9554155e7155
Source of Spectrum F-50-10976-2
Synonyms 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-2-phenylacetic acid 2-[benzyl(p-tolylsulfonyl)amino]-2-phenyl-acetic acid 2-[benzyl(tosyl)amino]-2-phenyl-acetic acid 2-[benzyl-(4-methylphenyl)sulfonylamino]-2-phenylacetic acid
Wiley ID 789306