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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organobromine compound > 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > biaryl > biphenyls > 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > biaryl > biphenyls > 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid

Preferred term

2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C17H18BrNO4S

inchi

  • InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)

inchikey

  • GJOCABIDMCKCEG-UHFFFAOYSA-N

mass

  • 412.299

monoisotopicmass

  • 411.01399

smiles

  • CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91864

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