CHEBI:116507 - 3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
ChEBI ID CHEBI:116507
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H20N2O6S
Net Charge 0
Average Mass 428.460
Monoisotopic Mass 428.10421
InChI InChI=1S/C21H20N2O6S/c1-15-7-9-17(10-8-15)23-30(26,27)19-6-2-4-16(12-19)21(25)29-14-20(24)22-13-18-5-3-11-28-18/h2-12,23H,13-14H2,1H3,(H,22,24)
InChIKey JBDSUQUPGGSFHW-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3
ChEBI Ontology
Outgoing 3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester (CHEBI:116507) is a benzoate ester (CHEBI:36054)
Manual Xref Database
LSM-27962 LINCS
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