EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:93970 - 2-ethoxybenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester

ChEBI IDCHEBI:93970
ChEBI Name2-ethoxybenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester
Stars
DownloadsMolfile
FormulaC26H24N2O5S
Net Charge0
Average Mass476.554
Monoisotopic Mass476.14059
SMILESCCOc1ccccc1C(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1-c1ccccc1
InChIInChI=1S/C26H24N2O5S/c1-4-32-23-13-9-8-12-22(23)26(29)33-25-24(34(30,31)21-16-14-18(2)15-17-21)19(3)27-28(25)20-10-6-5-7-11-20/h5-17H,4H2,1-3H3
InChIKeyVTWDXACUUMBIDM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-ethoxybenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester (CHEBI:93970) is a pyrazoles (CHEBI:26410)
2-ethoxybenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester (CHEBI:93970) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-4554LINCS