4-{[2-(4-Methoxyphenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic Acid

SpectraBase Compound ID	HXNzbyv8NK3
InChI	InChI=1S/C16H17N3O7S/c1-26-12-4-2-10(3-5-12)6-7-18-15-13(19(22)23)8-11(16(20)21)9-14(15)27(17,24)25/h2-5,8-9,18H,6-7H2,1H3,(H,20,21)(H2,17,24,25)
InChIKey	KYEUWSXSDKQHEK-UHFFFAOYSA-N Google Search
Mol Weight	395.39 g/mol
Molecular Formula	C16H17N3O7S
Exact Mass	395.078721 g/mol

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SpectraBase Spectrum ID	IUltRlSlo5k
Name	4-{[2-(4-Methoxyphenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic Acid
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H17N3O7S
InChI	InChI=1S/C16H17N3O7S/c1-26-12-4-2-10(3-5-12)6-7-18-15-13(19(22)23)8-11(16(20)21)9-14(15)27(17,24)25/h2-5,8-9,18H,6-7H2,1H3,(H,20,21)(H2,17,24,25)
InChIKey	KYEUWSXSDKQHEK-UHFFFAOYSA-N
Literature Reference DOI	10.1002/cbdv.201200322
Molecular Weight	395.386 g/mol
SMILES	NS(c1cc(cc(c1NCCc1ccc(cc1)OC)[N+](=O)[O-])C(=O)O)(=O)=O
SPLASH	splash10-00di-1910000000-d45e3ec27fe8cc375347
Source of Spectrum	CBD-9-2520-4d
Synonyms	4-((4-methoxyphenethyl)amino)-3-nitro-5-sulfamoylbenzoic acid
Wiley ID	1771113