B82

2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid

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Chemical Component Summary
Name	2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid
Synonyms	2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid
Identifiers	2-[[4-bromo-3-(diethylsulfamoyl)phenyl]carbonylamino]benzoic acid
Formula	C₁₈ H₁₉ Br N₂ O₅ S
Molecular Weight	455.323
Type	NON-POLYMER
Isomeric SMILES	CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O
InChI	InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
InChIKey	VNOMZKMKBNFCMC-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	12

Drug Info: DrugBank

DrugBank ID	DB07429
Name	2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid
Groups	experimental
Synonyms	2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-oxoacyl-[acyl-carrier-protein] synthase 3	MKNYARISCTSRYVPENCVTNHQLSEMMDTSDEWIHSRTGISERRIVTQE...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682