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Ethyl (4S / 4R)-1,3-diphenyl-4-{[S-phenyl-N-(p-tolylsulfonyl)]sulfoximidyl}methyl-4,5-dihydro-1H-pyrazole-3-carboxylate
SpectraBase Compound ID IQX9OQpQqsR
InChI InChI=1S/C32H31N3O5S2/c1-3-32(23-35(26-13-7-4-8-14-26)33-30(32)31(36)40-27-15-9-5-10-16-27)24-41(37,28-17-11-6-12-18-28)34-42(38,39)29-21-19-25(2)20-22-29/h4-22H,3,23-24H2,1-2H3/t32-,41-/m0/s1
InChIKey FEUGUDDLHBRUKC-KMAYNHJMSA-N
Mol Weight 601.7 g/mol
Molecular Formula C32H31N3O5S2
Exact Mass 601.170513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K32wkk8thAE
Name Ethyl (4S / 4R)-1,3-diphenyl-4-{[S-phenyl-N-(p-tolylsulfonyl)]sulfoximidyl}methyl-4,5-dihydro-1H-pyrazole-3-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H31N3O5S2
InChI InChI=1S/C32H31N3O5S2/c1-3-32(23-35(26-13-7-4-8-14-26)33-30(32)31(36)40-27-15-9-5-10-16-27)24-41(37,28-17-11-6-12-18-28)34-42(38,39)29-21-19-25(2)20-22-29/h4-22H,3,23-24H2,1-2H3/t32-,41-/m0/s1
InChIKey FEUGUDDLHBRUKC-KMAYNHJMSA-N
Molecular Weight 601.736 g/mol
SMILES c1(S(N=[S@@](C[C@]2(C(=NN(C2)c2ccccc2)C(Oc2ccccc2)=O)CC)(=O)c2ccccc2)(=O)=O)ccc(cc1)C
SPLASH splash10-000x-2092000000-4f3769ae76d65ea1c7e4
Source of Spectrum AJ-42-606-17
Synonyms phenyl (4R)-4-ethyl-4-{[[(4-methylphenyl)sulfonyl](phenyl)sulfonimidoyl]methyl}-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
Wiley ID 1567931