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2-Methoxy-4-[1-[(4-methylphenyl)sulfonyl]-3-(phenylsulfonyl)-2-imidazolidinyl]phenyl benzenesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Methoxy-4-[1-[(4-methylphenyl)sulfonyl]-3-(phenylsulfonyl)-2-imidazolidinyl]phenyl benzenesulfonate
SpectraBase Compound ID DRQRdqiAEpz
InChI InChI=1S/C29H28N2O8S3/c1-22-13-16-25(17-14-22)41(34,35)31-20-19-30(40(32,33)24-9-5-3-6-10-24)29(31)23-15-18-27(28(21-23)38-2)39-42(36,37)26-11-7-4-8-12-26/h3-18,21,29H,19-20H2,1-2H3
InChIKey BLFLESADUNAGIK-UHFFFAOYSA-N
Mol Weight 628.73 g/mol
Molecular Formula C29H28N2O8S3
Exact Mass 628.100779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XEVVHL7KPs
Name 2-Methoxy-4-[1-[(4-methylphenyl)sulfonyl]-3-(phenylsulfonyl)-2-imidazolidinyl]phenyl benzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N2O8S3
InChI InChI=1S/C29H28N2O8S3/c1-22-13-16-25(17-14-22)41(34,35)31-20-19-30(40(32,33)24-9-5-3-6-10-24)29(31)23-15-18-27(28(21-23)38-2)39-42(36,37)26-11-7-4-8-12-26/h3-18,21,29H,19-20H2,1-2H3
InChIKey BLFLESADUNAGIK-UHFFFAOYSA-N
Molecular Weight 628.729 g/mol
SMILES c1ccc(S(N2C(N(S(c3ccc(cc3)C)(=O)=O)CC2)c2cc(OC)c(OS(=O)(=O)c3ccccc3)cc2)(=O)=O)cc1
SPLASH splash10-002f-5900000000-dc2973bdaa34bc6ba2f3
Synonyms Benzenesulfonic acid 4-[1-benzenesulfonyl-3-(toluene-4-sulfonyl)-imidazolidin-2-yl]-2-methoxy-phenyl ester benzenesulfonic acid[4-(1-besyl-3-tosyl-imidazolidin-2-yl)-2-methoxy-phenyl]ester benzenesulfonic acid[4-[1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonyl-2-imidazolidinyl]-2-methoxyphenyl]ester [2-methoxy-4-[1-(4-methylphenyl)sulfonyl-3-(phenylsulfonyl)imidazolidin-2-yl]phenyl]benzenesulfonate [4-[1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidin-2-yl]-2-methoxyphenyl]benzenesulfonate [4-[1-(benzenesulfonyl)-3-(p-tolylsulfonyl)imidazolidin-2-yl]-2-methoxy-phenyl]benzenesulfonate benzenesulfonic acid [4-[1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonyl-2-imidazolidinyl]-2-methoxyphenyl] ester [4-[1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidin-2-yl]-2-methoxyphenyl] benzenesulfonate [4-[1-(benzenesulfonyl)-3-(p-tolylsulfonyl)imidazolidin-2-yl]-2-methoxy-phenyl] benzenesulfonate [2-methoxy-4-[1-(4-methylphenyl)sulfonyl-3-(phenylsulfonyl)imidazolidin-2-yl]phenyl] benzenesulfonate
Wiley ID 1465068