Metabolomics Structure Database

 
MW REGNO: 65218
Common Name:Hesperadin
Systematic Name:N-[(3Z)-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1H-indol-5-yl]ethanesulfonamide
Synonyms:hesperadine [PubChem Synonyms]
Exact Mass:
516.2195 (neutral)    Calculate m/z:
Formula:C29H32N4O3S
InChIKey:GLDSKRNGVVYJAB-DQSJHHFOSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Piperidines [C0000195]
ClassyFire subclass:Benzylpiperidines [C0003087]
ClassyFire direct parent:N-benzylpiperidines [C0002622]
SMILES:CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c1ccccc1)/Nc1ccc(cc1)CN1CCCCC1)/C(=O)N2
Studies:-

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External database links:

PubChem CID:135421442
CHEBI ID:70726
EPA CompTox DB:DTXCID001281944

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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