E-4031 (Q47)

From Chemical Compounds of Interest
Revision as of 18:27, 28 December 2022 by Egonw (talk | contribs) (‎Created claim: ToxBank Wiki (P4): https://wiki.toxbank.net/wiki/E-4031, #quickstatements; #temporary_batch_1672251968835)
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chemical compound
Language Label Description Also known as
English
E-4031
chemical compound

    Statements

    SMILES (without stereochemistry)
    CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C
    1 reference
    based on heuristic
    inferred from SMILES
    chemical formula
    C₂₁H₂₇N₃O₃S
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
    1 reference
    based on heuristic
    inferred from SMILES
     
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