CHEBI:108940 - 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(methylamino)-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(methylamino)-2-oxoethyl] ester
ChEBI ID CHEBI:108940
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H22FN3O5S
Net Charge 0
Average Mass 435.471
Monoisotopic Mass 435.12642
InChI InChI=1S/C20H22FN3O5S/c1-22-19(25)14-29-20(26)15-3-2-4-18(13-15)30(27,28)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKey HBZVCEFRKZBHTJ-UHFFFAOYSA-N
SMILES CNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F
ChEBI Ontology
Outgoing 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(methylamino)-2-oxoethyl] ester (CHEBI:108940) is a piperazines (CHEBI:26144)
Manual Xref Database
LSM-20338 LINCS
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