celecoxib

Molecular Formula: C₁₇H₁₄F₃N₃O₂S

InChI: InChI=1/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)/f/h21H2

InChIKey: InChIKey=RZEKVGVHFLEQIL-QVUQFMIFCW
SMILES: Cc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F

CAS number 169590-42-5

Names:
    Celebrex (TN)
    Celecoxib
    celecoxib
    KBioGR_000723
    p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide
    4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Registries:
    PubChem CID 2662
    CAS 169590-42-5 (from NIST)
    CAS 184007-95-2 (from NIST)
    ChEBI 3520
    Kegg C07589
    Kegg D00567
    PubChem ID 11373862
    PubChem ID 9791