COX

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Summary

Name:4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE
Synonyms:VALDECOXIB
Formula:C16 H14 N2 O3 S
Formal charge:0
Molecular weight:314.359 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
OpenEye OEToolkits1.5.04-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3
SMILES_CANONICALCACTVS3.341Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O
SMILESCACTVS3.341Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N
InChIInChI1.03InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
InChIKeyInChI1.03LNPDTQAFDNKSHK-UHFFFAOYSA-N