7-[(4-Methylphenyl)sulfonyl]-16-(4-nitrobenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

SpectraBase Compound ID	7MfjFs9hQNT
InChI	InChI=1S/C26H37N3O8S/c1-23-2-8-26(9-3-23)38(32,33)28-12-16-36-20-18-34-14-10-27(11-15-35-19-21-37-17-13-28)22-24-4-6-25(7-5-24)29(30)31/h2-9H,10-22H2,1H3
InChIKey	IHPGQKDVJFJVBS-UHFFFAOYSA-N Google Search
Mol Weight	551.7 g/mol
Molecular Formula	C26H37N3O8S
Exact Mass	551.230136 g/mol

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SpectraBase Spectrum ID	InWT4SbzFi0
Name	7-[(4-Methylphenyl)sulfonyl]-16-(4-nitrobenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H37N3O8S
InChI	InChI=1S/C26H37N3O8S/c1-23-2-8-26(9-3-23)38(32,33)28-12-16-36-20-18-34-14-10-27(11-15-35-19-21-37-17-13-28)22-24-4-6-25(7-5-24)29(30)31/h2-9H,10-22H2,1H3
InChIKey	IHPGQKDVJFJVBS-UHFFFAOYSA-N
Molecular Weight	551.655 g/mol
SMILES	C1N(S(c2ccc(cc2)C)(=O)=O)CCOCCOCCN(CCOCCOC1)Cc1ccc(N(=O)=O)cc1
SPLASH	splash10-0pbc-9614040000-4bf3af754356c641fd1c
Source of Spectrum	NP-15-9578-0
Synonyms	7-(4-Nitro-benzyl)-16-(toluene-4-sulfonyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane 7-[(4-nitrophenyl)methyl]-16-(p-tolylsulfonyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane 7-(4-Methylphenyl)sulfonyl-16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Wiley ID	1113026