EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:40077 - 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE

Default Structure
ChEBI IDCHEBI:40077
ChEBI Name4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC29H26FN3O5S2
Net Charge0
Average Mass579.675
Monoisotopic Mass579.12979
SMILES[H]c1c([H])c(-c2c([H])c([H])c(C(=O)N([H])S(=O)(=O)c3c([H])c([H])c(N([H])C([H])([H])C([H])([H])Sc4c([H])c([H])c(C([H])([H])[H])c([H])c4C([H])([H])[H])c([N+](=O)[O-])c3[H])c([H])c2[H])c([H])c([H])c1F
InChIInChI=1S/C29H26FN3O5S2/c1-19-3-14-28(20(2)17-19)39-16-15-31-26-13-12-25(18-27(26)33(35)36)40(37,38)32-29(34)23-6-4-21(5-7-23)22-8-10-24(30)11-9-22/h3-14,17-18,31H,15-16H2,1-2H3,(H,32,34)
InChIKeyZNFYRQYKAQRTCH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE (CHEBI:40077) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDEPDBeChem
N-{[4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluorobiphenyl-4-carboxamidePDBeChem
Manual XrefsDatabases
4EBPDBeChem