NSC57998

Molecular Formula: C₂₀H₂₃ClN₂O₃S

InChI: InChI=1/C13H19NS.C7H4ClNO3/c1-12-5-7-13(8-6-12)15-11-14-9-3-2-4-10-14;8-7(10)5-1-3-6(4-2-5)9(11)12/h5-8H,2-4,9-11H2,1H3;1-4H

InChIKey: InChIKey=FJHZCTHZJUERHJ-UHFFFAOYAY
SMILES: CC1=CC=C(C=C1)SCN2CCCCC2.C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]

Names:
    NSC57998
    1-[(4-methylphenyl)sulfanylmethyl]piperidine; 4-nitrobenzoyl chloride
    7249-48-1

Registries:
    PubChem CID 245762
    PubChem ID 106839