CHEBI:105622 - 3-(4-methylphenyl)sulfonylpropanoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester

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ChEBI Name 3-(4-methylphenyl)sulfonylpropanoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester
ChEBI ID CHEBI:105622
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H16Cl2N2O5S
Net Charge 0
Average Mass 431.292
Monoisotopic Mass 430.01570
InChI InChI=1S/C17H16Cl2N2O5S/c1-11-2-4-13(5-3-11)27(24,25)7-6-16(23)26-10-15(22)21-17-14(19)8-12(18)9-20-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,22)
InChIKey BUZMITYLYOZNNE-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl
ChEBI Ontology
Outgoing 3-(4-methylphenyl)sulfonylpropanoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester (CHEBI:105622) is a sulfonic acid derivative (CHEBI:33552)
Manual Xref Database
LSM-16985 LINCS
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