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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
ChEBI ID CHEBI:59007
Definition A 4-ethoxy-3-carboxybenzenesulfonamide in which the sulfonamide nitrogen is a member of a piperazine ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H20N2O5S
Net Charge 0
Average Mass 328.38400
Monoisotopic Mass 328.109
InChI InChI=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)
InChIKey TXKSEEXWAGLOIY-UHFFFAOYSA-N
SMILES CCOc1ccc(cc1C(O)=O)S(=O)(=O)N1CCN(C)CC1
ChEBI Ontology
Outgoing 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 Number Type Source
9212723 Beilstein Registry Number Beilstein
Last Modified
02 March 2010