CHEBI:122071 - 3-[(3,4-difluorophenyl)sulfonylamino]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[(3,4-difluorophenyl)sulfonylamino]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester
ChEBI ID CHEBI:122071
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H21F2N3O6S
Net Charge 0
Average Mass 469.461
Monoisotopic Mass 469.11191
InChI InChI=1S/C20H21F2N3O6S/c1-12(2)10-23-20(28)24-18(26)11-31-19(27)13-4-3-5-14(8-13)25-32(29,30)15-6-7-16(21)17(22)9-15/h3-9,12,25H,10-11H2,1-2H3,(H2,23,24,26,28)
InChIKey BWVQPWJYQLXBCM-UHFFFAOYSA-N
SMILES CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)F
ChEBI Ontology
Outgoing 3-[(3,4-difluorophenyl)sulfonylamino]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester (CHEBI:122071) is a benzoate ester (CHEBI:36054)
Manual Xref Database
LSM-33514 LINCS
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