CHEBI:94983 - 4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid
ChEBI ID CHEBI:94983
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H21ClF3NO4S
Net Charge 0
Average Mass 511.943
Monoisotopic Mass 511.083
InChI InChI=1S/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1
InChIKey IZAOBRWCUGOKNH-OAHLLOKOSA-N
SMILES C[C@H](C1=C(C=C(C=C1)F)CCCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
ChEBI Ontology
Outgoing 4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid (CHEBI:94983) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-6207 LINCS
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