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1-[4'-(2"-{p-Methylphenyl}sulfonyloxy)ethoxybenzyl]-5-[1'''-(2""-{methoxymethyl}pyrrolidinyl)sulfonyl]-isatin
SpectraBase Compound ID 8b8rAYidVMS
InChI InChI=1S/C30H32N2O9S2/c1-21-5-11-25(12-6-21)43(37,38)41-17-16-40-24-9-7-22(8-10-24)19-31-28-14-13-26(18-27(28)29(33)30(31)34)42(35,36)32-15-3-4-23(32)20-39-2/h5-14,18,23H,3-4,15-17,19-20H2,1-2H3/t23-/m0/s1
InChIKey VXDALODUEXZZKU-QHCPKHFHSA-N
Mol Weight 628.7 g/mol
Molecular Formula C30H32N2O9S2
Exact Mass 628.154923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GBl28u04To
Name 1-[4'-(2"-{p-Methylphenyl}sulfonyloxy)ethoxybenzyl]-5-[1'''-(2""-{methoxymethyl}pyrrolidinyl)sulfonyl]-isatin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32N2O9S2
InChI InChI=1S/C30H32N2O9S2/c1-21-5-11-25(12-6-21)43(37,38)41-17-16-40-24-9-7-22(8-10-24)19-31-28-14-13-26(18-27(28)29(33)30(31)34)42(35,36)32-15-3-4-23(32)20-39-2/h5-14,18,23H,3-4,15-17,19-20H2,1-2H3/t23-/m0/s1
InChIKey VXDALODUEXZZKU-QHCPKHFHSA-N
Molecular Weight 628.711 g/mol
SMILES [C@]1(N(S(c2cc3C(C(=O)N(c3cc2)Cc2ccc(OCCOS(c3ccc(cc3)C)(=O)=O)cc2)=O)(=O)=O)CCC1)(COC)[H]
SPLASH splash10-001i-0000090000-c00960cef547f4bf681a
Source of Spectrum AF-49-6713-31
Synonyms 4-methylbenzenesulfonic acid 2-[4-[[5-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]sulfonyl]-2,3-dioxo-1-indolyl]methyl]phenoxy]ethyl ester 2-[4-[[5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-2,3-dioxoindol-1-yl]methyl]phenoxy]ethyl 4-methylbenzenesulfonate 2-[4-[[5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-2,3-dioxo-indolin-1-yl]methyl]phenoxy]ethyl 4-methylbenzenesulfonate 2-[4-[[5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]phenoxy]ethyl 4-methylbenzenesulfonate
Wiley ID 1694204