CHEBI:104217 - 2-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
ChEBI ID CHEBI:104217
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H31FN4O4S
Net Charge 0
Average Mass 490.593
Monoisotopic Mass 490.20500
InChI InChI=1S/C24H31FN4O4S/c1-18-10-11-21(15-22(18)34(32,33)29-12-5-3-4-6-13-29)27-24(31)17-28(2)16-23(30)26-20-9-7-8-19(25)14-20/h7-11,14-15H,3-6,12-13,16-17H2,1-2H3,(H,26,30)(H,27,31)
InChIKey GQZRGBIEEIXVGI-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)N3CCCCCC3
ChEBI Ontology
Outgoing 2-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (CHEBI:104217) is a amino acid amide (CHEBI:22475)
Manual Xref Database
LSM-15581 LINCS
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