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(Q72509274)
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English
1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
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
315.092914404
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₇NO₃S
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canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C3=CC=CC=C32
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Identifiers
InChI
InChI=1S/C17H17NO3S/c1-13-8-10-14(11-9-13)22(20,21)18-12-4-7-17(19)15-5-2-3-6-16(15)18/h2-3,5-6,8-11H,4,7,12H2,1H3
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InChIKey
OTPIOAHUBNERHE-UHFFFAOYSA-N
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CAS Registry Number
24310-36-9
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PubChem CID
266852
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matched by identifier from
InChIKey
InChIKey
OTPIOAHUBNERHE-UHFFFAOYSA-N
UniChem compound ID
15131824
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80295831
1 reference
matched by identifier from
InChIKey
InChIKey
OTPIOAHUBNERHE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80246969
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NSC number
105655
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