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1-[4'-(2"-{p-Methylphenyl}sulfonyloxy)ethoxybenzyl]-5-[1'''-(2""-{phenoxymethyl}pyrrolidinyl)sulfonyl]-isatin
SpectraBase Compound ID EiduGfjfWcQ
InChI InChI=1S/C35H34N2O9S2/c1-25-9-15-30(16-10-25)48(42,43)46-21-20-44-29-13-11-26(12-14-29)23-36-33-18-17-31(22-32(33)34(38)35(36)39)47(40,41)37-19-5-6-27(37)24-45-28-7-3-2-4-8-28/h2-4,7-18,22,27H,5-6,19-21,23-24H2,1H3/t27-/m0/s1
InChIKey RRBOQMCBPIXZCY-MHZLTWQESA-N
Mol Weight 690.8 g/mol
Molecular Formula C35H34N2O9S2
Exact Mass 690.170573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D75iMy5As41
Name 1-[4'-(2"-{p-Methylphenyl}sulfonyloxy)ethoxybenzyl]-5-[1'''-(2""-{phenoxymethyl}pyrrolidinyl)sulfonyl]-isatin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H34N2O9S2
InChI InChI=1S/C35H34N2O9S2/c1-25-9-15-30(16-10-25)48(42,43)46-21-20-44-29-13-11-26(12-14-29)23-36-33-18-17-31(22-32(33)34(38)35(36)39)47(40,41)37-19-5-6-27(37)24-45-28-7-3-2-4-8-28/h2-4,7-18,22,27H,5-6,19-21,23-24H2,1H3/t27-/m0/s1
InChIKey RRBOQMCBPIXZCY-MHZLTWQESA-N
Molecular Weight 690.782 g/mol
SMILES [C@]1(N(S(c2cc3C(C(=O)N(c3cc2)Cc2ccc(cc2)OCCOS(c2ccc(cc2)C)(=O)=O)=O)(=O)=O)CCC1)(COc1ccccc1)[H]
SPLASH splash10-0006-9003000000-d985006966aeb198d80e
Source of Spectrum AF-49-6713-32
Synonyms 4-Methylbenzenesulfonic acid 2-[4-[[2,3-dioxo-5-[[(2S)-2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl]-1-indolyl]methyl]phenoxy]ethyl ester 2-[4-[[2,3-dioxo-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindol-1-yl]methyl]phenoxy]ethyl 4-methylbenzenesulfonate 2-[4-[[2,3-dioxo-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indolin-1-yl]methyl]phenoxy]ethyl 4-methylbenzenesulfonate 2-[4-[[2,3-bis(oxidanylidene)-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indol-1-yl]methyl]phenoxy]ethyl 4-methylbenzenesulfonate
Wiley ID 1694203