CHEBI:116580 - 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester

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ChEBI Name 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester
ChEBI ID CHEBI:116580
Stars This entity has been manually annotated by a third party.
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Formula C23H22N2O6S2
Net Charge 0
Average Mass 486.564
Monoisotopic Mass 486.09193
InChI InChI=1S/C23H22N2O6S2/c1-16-7-8-17(14-21(16)33(28,29)25-9-11-30-12-10-25)23(27)31-19-5-2-4-18(15-19)24-22(26)20-6-3-13-32-20/h2-8,13-15H,9-12H2,1H3,(H,24,26)
InChIKey PQOFIQOWYUUNNI-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=CS3)S(=O)(=O)N4CCOCC4
ChEBI Ontology
Outgoing 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester (CHEBI:116580) is a carbonyl compound (CHEBI:36586)
Manual Xref Database
LSM-28035 LINCS
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