3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

SpectraBase Compound ID	6n8whrJ3fSG
InChI	InChI=1S/C18H20N2O6S/c1-11-7-12(2)18(13(3)8-11)27(25,26)19-16(10-17(21)22)14-5-4-6-15(9-14)20(23)24/h4-9,16,19H,10H2,1-3H3,(H,21,22)
InChIKey	HRIFAYUIKISDQB-UHFFFAOYSA-N Google Search
Mol Weight	392.43 g/mol
Molecular Formula	C18H20N2O6S
Exact Mass	392.104208 g/mol

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SpectraBase Spectrum ID	2RdCFOmSjA
Name	3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
Alternate Name(s)	3-(mesitylsulfonylamino)-3-(3-nitrophenyl)propionic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H20N2O6S
InChI	InChI=1S/C18H20N2O6S/c1-11-7-12(2)18(13(3)8-11)27(25,26)19-16(10-17(21)22)14-5-4-6-15(9-14)20(23)24/h4-9,16,19H,10H2,1-3H3,(H,21,22)
InChIKey	HRIFAYUIKISDQB-UHFFFAOYSA-N
Molecular Weight	392.426 g/mol
SMILES	N(S(c1c(cc(cc1C)C)C)(=O)=O)C(CC(=O)O)c1cc(N(=O)=O)ccc1
SPLASH	splash10-014l-7910000000-f0438cb1b02c7d740b59
Wiley ID	1443671