celecoxib
Molecular Formula:
C
17
H
14
F
3
N
3
O
2
S
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