sodium butanoyl-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-azanide

Systemtic Name: sodium butanoyl-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-azanide Openeye Name: sodium butanoyl-[4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-azanide CAS Name: sodium [4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]phenyl]sulfonyl-(1-oxobutyl)azanide IUPAC Name: sodium butanoyl-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylazanide Traditional Name: sodium butyryl-[4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-azanide Formula: C21H19F3N3NaO3S MolecularWeight: 473.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C.[Na+]

Isomeric SMILES

CCCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C.[Na+]

InChI

InChI=1S/C21H20F3N3O3S.Na/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);/q;+1/p-1