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CHEBI:49389 - (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL

Default Structure
ChEBI IDCHEBI:49389
ChEBI Name(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC14H17NO3S2
Net Charge0
Average Mass311.428
Monoisotopic Mass311.06499
SMILES[H]S[C@]1([H])C([H])([H])N(S(=O)(=O)c2c([H])c([H])c(OC([H])([H])C#CC([H])([H])[H])c([H])c2[H])C([H])([H])C1([H])[H]
InChIInChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m0/s1
InChIKeyBLIQFUCBRCDFAI-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL (CHEBI:49389) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiolPDBeChem
(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOLPDBeChem
Manual XrefsDatabases
283PDBeChem