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acetic acid, [[(4-bromophenyl)sulfonyl][2-oxo-2-(phenylamino)ethyl]amino]-
SpectraBase Compound ID c1SRGbjkNe
InChI InChI=1S/C16H15BrN2O5S/c17-12-6-8-14(9-7-12)25(23,24)19(11-16(21)22)10-15(20)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,20)(H,21,22)
InChIKey KVGKTGJILDASKT-UHFFFAOYSA-N
Mol Weight 427.27 g/mol
Molecular Formula C16H15BrN2O5S
Exact Mass 425.988506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1222GxrdLaB
Name 2-[(2-anilino-2-keto-ethyl)-brosyl-amino]acetic acid
Alternate Name(s) 2-[(2-anilino-2-oxo-ethyl)-(4-bromophenyl)sulfonyl-amino]acetic acid 2-[(4-bromophenyl)sulfonyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]ethanoic acid
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Formula C16H15BrN2O5S
InChI InChI=1S/C16H15BrN2O5S/c17-12-6-8-14(9-7-12)25(23,24)19(11-16(21)22)10-15(20)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,20)(H,21,22)
InChIKey KVGKTGJILDASKT-UHFFFAOYSA-N
Molecular Weight 427.269 g/mol
SMILES N(C(CN(CC(=O)O)S(c1ccc(cc1)Br)(=O)=O)=O)c1ccccc1
SPLASH splash10-052f-9410000000-5c967fbbf2dd16377491
Wiley ID 1458248