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(Q82822799)
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English
(2S)-2-(2-Bromophenyl)-1-(4-nitrobenzene-1-sulfonyl)aziridine
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
381.96228993200003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₁BrN₂O₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC2c2ccccc2Br)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2Br)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H11BrN2O4S/c15-13-4-2-1-3-12(13)14-9-16(14)22(20,21)11-7-5-10(6-8-11)17(18)19/h1-8,14H,9H2/t14-,16?/m1/s1
0 references
InChIKey
AMDAZUDOPIKLPX-IURRXHLWSA-N
0 references
CAS Registry Number
832117-99-4
0 references
PubChem CID
71416014
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
51070077
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20835417
0 references
DSSTOX compound identifier
DTXCID40786159
0 references
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