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CHEBI:59007 - 2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid

ChEBI IDCHEBI:59007
ChEBI Name2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
Stars
DefinitionA 4-ethoxy-3-carboxybenzenesulfonamide in which the sulfonamide nitrogen is a member of a piperazine ring.
Last Modified2 March 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H20N2O5S
Net Charge0
Average Mass328.390
Monoisotopic Mass328.10929
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O
InChIInChI=1S/C14H20N2O5S/c1-3-21-13-5-4-11(10-12(13)14(17)18)22(19,20)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyTXKSEEXWAGLOIY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid (CHEBI:59007) has functional parent benzoic acid (CHEBI:30746)
2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid (CHEBI:59007) is a piperazines (CHEBI:26144)
2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid (CHEBI:59007) is a sulfonamide (CHEBI:35358)
IUPAC Name 
2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid
Registry NumbersSources
Beilstein:9212723Beilstein