CHEBI:111426 - 4-(1-piperidinyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(1-piperidinyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid ethyl ester
ChEBI ID CHEBI:111426
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H23F3N2O4S
Net Charge 0
Average Mass 456.480
Monoisotopic Mass 456.13306
InChI InChI=1S/C21H23F3N2O4S/c1-2-30-20(27)15-9-10-19(26-11-4-3-5-12-26)18(13-15)25-31(28,29)17-8-6-7-16(14-17)21(22,23)24/h6-10,13-14,25H,2-5,11-12H2,1H3
InChIKey RQMWHSIXJAGYKG-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC(=C(C=C1)N2CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F
ChEBI Ontology
Outgoing 4-(1-piperidinyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid ethyl ester (CHEBI:111426) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-22882 LINCS
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