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(Q82067737)
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English
N~2~-Butyl-N-[4-(4-nitrobenzene-1-sulfonyl)phenyl]glycinamide
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
391.1201917719999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₁N₃O₅S
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canonical SMILES
CCCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C18H21N3O5S/c1-2-3-12-19-13-18(22)20-14-4-8-16(9-5-14)27(25,26)17-10-6-15(7-11-17)21(23)24/h4-11,19H,2-3,12-13H2,1H3,(H,20,22)
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InChIKey
HLDJRGGYFRAJEN-UHFFFAOYSA-N
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CAS Registry Number
60515-80-2
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PubChem CID
324840
1 reference
matched by identifier from
InChIKey
InChIKey
HLDJRGGYFRAJEN-UHFFFAOYSA-N
UniChem compound ID
67155306
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50315050
1 reference
matched by identifier from
InChIKey
InChIKey
HLDJRGGYFRAJEN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90266173
0 references
NSC number
291627
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