methyl 2-[2-(phenylsulfonyl)hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[2-(phenylsulfonyl)hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-[2-(benzenesulfonyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(benzenesulfonylhydrazo)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(benzenesulfonyl)hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(N'-besylhydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester Formula: C13H11F3N4O4S MolecularWeight: 376.31105

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C(F)(F)F)NNS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C(F)(F)F)NNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H11F3N4O4S/c1-24-11(21)9-7-17-12(18-10(9)13(14,15)16)19-20-25(22,23)8-5-3-2-4-6-8/h2-7,20H,1H3,(H,17,18,19)