N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbutanamide

Systemtic Name: N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbutanamide Openeye Name: N-[4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbutanamide CAS Name: N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]phenyl]sulfonylbutanamide IUPAC Name: N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbutanamide Traditional Name: N-[4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbutyramide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H20F3N3O3S/c1-3-4-20(28)26-31(29,30)17-11-9-16(10-12-17)27-18(13-19(25-27)21(22,23)24)15-7-5-14(2)6-8-15/h5-13H,3-4H2,1-2H3,(H,26,28)