CHEBI:107101 - acetic acid [4-[acetyl-(4-chlorophenyl)sulfonylamino]-1-naphthalenyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acetic acid [4-[acetyl-(4-chlorophenyl)sulfonylamino]-1-naphthalenyl] ester
ChEBI ID CHEBI:107101
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H16ClNO5S
Net Charge 0
Average Mass 417.865
Monoisotopic Mass 417.04377
InChI InChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)16-9-7-15(21)8-10-16)19-11-12-20(27-14(2)24)18-6-4-3-5-17(18)19/h3-12H,1-2H3
InChIKey CVUOPNNMCJKVDV-UHFFFAOYSA-N
SMILES CC(=O)N(C1=CC=C(C2=CC=CC=C21)OC(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl
ChEBI Ontology
Outgoing acetic acid [4-[acetyl-(4-chlorophenyl)sulfonylamino]-1-naphthalenyl] ester (CHEBI:107101) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-18455 LINCS
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