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CHEBI:47588 - 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE

Default Structure
ChEBI IDCHEBI:47588
ChEBI Name2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE
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DownloadsMolfile
FormulaC21H27ClFNO4S
Net Charge0
Average Mass443.968
Monoisotopic Mass443.13334
SMILES[H]c1c([H])c(OC(C(=O)N([H])[C@@]2([H])[C@@]3([H])C([H])([H])[C@@]4([H])C([H])([H])[C@]2([H])C([H])([H])[C@](S(=O)(=O)C([H])([H])[H])(C4([H])[H])C3([H])[H])(C([H])([H])[H])C([H])([H])[H])c(Cl)c([H])c1F
InChIInChI=1S/C21H27ClFNO4S/c1-20(2,28-17-5-4-15(23)8-16(17)22)19(25)24-18-13-6-12-7-14(18)11-21(9-12,10-13)29(3,26)27/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3,(H,24,25)/t12-,13-,14+,18-,21-
InChIKeyULLPKOZNMAWTIP-JGSHYQHOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE (CHEBI:47588) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDEPDBeChem
2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,3S,5S,7s)-5-(methylsulfonyl)tricyclo[3.3.1.1~3,7~]dec-2-yl]propanamidePDBeChem
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