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2-(benzenesulfonamido)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid methyl ester
SpectraBase Compound ID Bvf8FH3qAHe
InChI InChI=1S/C18H15F3N2O4S/c1-27-16(24)17(18(19,20)21,14-11-22-15-10-6-5-9-13(14)15)23-28(25,26)12-7-3-2-4-8-12/h2-11,22-23H,1H3
InChIKey FVZXGNIMLMYIQO-UHFFFAOYSA-N
Mol Weight 412.38 g/mol
Molecular Formula C18H15F3N2O4S
Exact Mass 412.070463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mLKNmqYQIA
Name 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid methyl ester
Alternate Name(s) 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(1H-indol-3-yl)propionic acid methyl ester Methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate Methyl 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-[(phenylsulfonyl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-(1H-indol-3-yl)-2-(phenylsulfonylamino)propanoate
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Formula C18H15F3N2O4S
InChI InChI=1S/C18H15F3N2O4S/c1-27-16(24)17(18(19,20)21,14-11-22-15-10-6-5-9-13(14)15)23-28(25,26)12-7-3-2-4-8-12/h2-11,22-23H,1H3
InChIKey FVZXGNIMLMYIQO-UHFFFAOYSA-N
Molecular Weight 412.383 g/mol
SMILES [nH]1c2c(c(C(NS(=O)(=O)c3ccccc3)(C(F)(F)F)C(=O)OC)c1)cccc2
SPLASH splash10-01ox-5932000000-d6797e2ddba2e0a439ef
Wiley ID 1442254