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4-(([5-(4-Bromobenzoyl)-2-methylphenyl]sulfonyl)amino)benzoic acid
SpectraBase Compound ID KXkxHsbQ8qi
InChI InChI=1S/C21H16BrNO5S/c1-13-2-3-16(20(24)14-4-8-17(22)9-5-14)12-19(13)29(27,28)23-18-10-6-15(7-11-18)21(25)26/h2-12,23H,1H3,(H,25,26)
InChIKey HUTIKBSOHKQPOK-UHFFFAOYSA-N
Mol Weight 474.33 g/mol
Molecular Formula C21H16BrNO5S
Exact Mass 472.993257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WOi01F1chh
Name 4-(([5-(4-Bromobenzoyl)-2-methylphenyl]sulfonyl)amino)benzoic acid
CAS Registry Number 324009-51-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16BrNO5S
InChI InChI=1S/C21H16BrNO5S/c1-13-2-3-16(20(24)14-4-8-17(22)9-5-14)12-19(13)29(27,28)23-18-10-6-15(7-11-18)21(25)26/h2-12,23H,1H3,(H,25,26)
InChIKey HUTIKBSOHKQPOK-UHFFFAOYSA-N
Molecular Weight 474.325 g/mol
SMILES N(S(c1cc(C(c2ccc(cc2)Br)=O)ccc1C)(=O)=O)c1ccc(C(=O)O)cc1
SPLASH splash10-014l-9600000000-2f12d9cee8e824177c23
Synonyms 4-[5-(4-Bromobenzoyl)-2-methylbenzenesulfonamido]benzoic acid 4-[[5-(4-bromophenyl)carbonyl-2-methyl-phenyl]sulfonylamino]benzoic acid 4-[[5-[(4-bromophenyl)-oxomethyl]-2-methylphenyl]sulfonylamino]benzoic acid 4-[[5-(4-bromobenzoyl)-2-methylphenyl]sulfonylamino]benzoic acid
Wiley ID 1467294