sodium (1Z)-N-[2-(hydroxymethyl)-4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpropanimidate

Systemtic Name: sodium (1Z)-N-[2-(hydroxymethyl)-4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpropanimidate Openeye Name: sodium (1Z)-N-[2-(hydroxymethyl)-4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpropanimidate CAS Name: sodium (1Z)-N-[2-(hydroxymethyl)-4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1-pyrazolyl]phenyl]sulfonylpropanimidate IUPAC Name: sodium (1Z)-N-[2-(hydroxymethyl)-4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpropanimidate Traditional Name: sodium (1Z)-N-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-methylol-phenyl]sulfonylpropionimidate Formula: C21H19F3N3NaO5S MolecularWeight: 505.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NS(=O)(=O)C1=C(C=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC)CO)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O5S.Na/c1-3-20(29)26-33(30,31)18-9-6-15(10-14(18)12-28)27-17(11-19(25-27)21(22,23)24)13-4-7-16(32-2)8-5-13;/h4-11,28H,3,12H2,1-2H3,(H,26,29);/q;+1/p-1