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(Q82040013)
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English
2'-(2,3-dimethoxybenzyl)-1'-[(4-methylphenyl)sulfonyl]spiro[indole-3,3'-pyrrolidin]-2(1h)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
492.17189299599994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₈N₂O₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cccc(CC2N(S(=O)(=O)c3ccc(C)cc3)CCC23C(=O)Nc2ccccc23)c1OC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H28N2O5S/c1-18-11-13-20(14-12-18)35(31,32)29-16-15-27(21-8-4-5-9-22(21)28-26(27)30)24(29)17-19-7-6-10-23(33-2)25(19)34-3/h4-14,24H,15-17H2,1-3H3,(H,28,30)
0 references
InChIKey
AORMSBXAWCMCIZ-UHFFFAOYSA-N
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CAS Registry Number
7509-50-4
0 references
PubChem CID
275424
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
59546466
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00298288
0 references
DSSTOX compound identifier
DTXCID30249425
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NSC number
122270
0 references
407399
0 references
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