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

SpectraBase Compound ID	9qvZV3KD1xt
InChI	InChI=1S/C16H17N3O7S/c1-26-12-4-2-3-10(7-12)5-6-18-15-13(19(22)23)8-11(16(20)21)9-14(15)27(17,24)25/h2-4,7-9,18H,5-6H2,1H3,(H,20,21)(H2,17,24,25)
InChIKey	AFCFKSAEUXCWPE-UHFFFAOYSA-N Google Search
Mol Weight	395.39 g/mol
Molecular Formula	C16H17N3O7S
Exact Mass	395.078721 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	F2na1PJb54U
Name	4-{[2-(3-Methoxyphenyl)ethyl]amino}-3-nitro-5-sulfamoylbenzoic Acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H17N3O7S
InChI	InChI=1S/C16H17N3O7S/c1-26-12-4-2-3-10(7-12)5-6-18-15-13(19(22)23)8-11(16(20)21)9-14(15)27(17,24)25/h2-4,7-9,18H,5-6H2,1H3,(H,20,21)(H2,17,24,25)
InChIKey	AFCFKSAEUXCWPE-UHFFFAOYSA-N
Literature Reference DOI	10.1002/cbdv.201200322
Molecular Weight	395.386 g/mol
SMILES	NS(c1cc(cc(c1NCCc1cc(ccc1)OC)[N+](=O)[O-])C(=O)O)(=O)=O
SPLASH	splash10-00di-3890000000-b7d423100875f2ed0970
Source of Spectrum	CBD-9-2519-4c
Synonyms	4-((3-methoxyphenethyl)amino)-3-nitro-5-sulfamoylbenzoic acid
Wiley ID	1771112