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(3S)-3-(4-Chlorobenzenesulfonyl)-2-((S)-2-methoxymethylpyrrolidin-1-yl)-2,3-dihydro-1H-isoindol-1-one
SpectraBase Compound ID 8yCbKBai1Ax
InChI InChI=1S/C20H21ClN2O4S/c1-27-13-15-5-4-12-22(15)23-19(24)17-6-2-3-7-18(17)20(23)28(25,26)16-10-8-14(21)9-11-16/h2-3,6-11,15,20H,4-5,12-13H2,1H3/t15-,20-/m0/s1
InChIKey OEWKJMKHNCXBED-YWZLYKJASA-N
Mol Weight 420.91 g/mol
Molecular Formula C20H21ClN2O4S
Exact Mass 420.091056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gJP9GNfLpL
Name (3S)-3-(4-Chlorobenzenesulfonyl)-2-((S)-2-methoxymethylpyrrolidin-1-yl)-2,3-dihydro-1H-isoindol-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClN2O4S
InChI InChI=1S/C20H21ClN2O4S/c1-27-13-15-5-4-12-22(15)23-19(24)17-6-2-3-7-18(17)20(23)28(25,26)16-10-8-14(21)9-11-16/h2-3,6-11,15,20H,4-5,12-13H2,1H3/t15-,20-/m0/s1
InChIKey OEWKJMKHNCXBED-YWZLYKJASA-N
Molecular Weight 420.911 g/mol
SMILES [C@@]1(N(C(c2ccccc12)=O)N1[C@](COC)(CCC1)[H])(S(c1ccc(cc1)Cl)(=O)=O)[H]
SPLASH splash10-01ot-0090000000-7019636e3318123eb730
Source of Spectrum KD-16-878-6
Synonyms (2S,3S)-3-(4-Chlorobenzenesulfonyl)-2-(2-methoxymethylpyrrolidin-1-yl)-2,3-dihydro-1H-isoindol-1-one (3S)-3-[(4-chlorophenyl)sulfonyl]-2-[(2S)-2-(methoxymethyl)pyrrolidinyl]-2,3-dihydro-1H-isoindol-1-one
Wiley ID 1637475