CHEBI:121706 - 3-(benzenesulfonyl)propanoic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester

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ChEBI Name 3-(benzenesulfonyl)propanoic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester
ChEBI ID CHEBI:121706
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H16Cl2N2O5S
Net Charge 0
Average Mass 431.292
Monoisotopic Mass 430.01570
InChI InChI=1S/C17H16Cl2N2O5S/c1-11-13(18)9-20-17(16(11)19)21-14(22)10-26-15(23)7-8-27(24,25)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,20,21,22)
InChIKey KLKYRRPAKBREKC-UHFFFAOYSA-N
SMILES CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)Cl
ChEBI Ontology
Outgoing 3-(benzenesulfonyl)propanoic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester (CHEBI:121706) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-33149 LINCS
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