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(Q82190857)
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English
Ethyl 2-(4-((4-bromophenyl)sulfonyl)piperazin-1-yl)acetate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
390.0248901879999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₉BrN₂O₄S
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canonical SMILES
CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br
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Identifiers
InChI
InChI=1S/C14H19BrN2O4S/c1-2-21-14(18)11-16-7-9-17(10-8-16)22(19,20)13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3
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InChIKey
DFGAHTVPVGLXTK-UHFFFAOYSA-N
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CAS Registry Number
1022353-79-2
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PubChem CID
3444973
1 reference
matched by identifier from
InChIKey
InChIKey
DFGAHTVPVGLXTK-UHFFFAOYSA-N
UniChem compound ID
23923325
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90392527
1 reference
matched by identifier from
InChIKey
InChIKey
DFGAHTVPVGLXTK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00343388
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