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

Systemtic Name: sodium [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-propanoyl-azanide Openeye Name: sodium propanoyl-[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-oxopropyl)azanide IUPAC Name: sodium [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-propanoylazanide Traditional Name: sodium propionyl-[4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-azanide Formula: C20H17F3N3NaO3S MolecularWeight: 459.41726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C20H18F3N3O3S.Na/c1-3-19(27)25-30(28,29)16-10-8-15(9-11-16)26-17(12-18(24-26)20(21,22)23)14-6-4-13(2)5-7-14;/h4-12H,3H2,1-2H3,(H,25,27);/q;+1/p-1