2-[C-(phenylsulfonylazanidyl)-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]sulfanylethanoate

Systemtic Name: 2-[C-(phenylsulfonylazanidyl)-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]sulfanylethanoate Openeye Name: 2-[C-(benzenesulfonylazanidyl)-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]sulfanylacetate CAS Name: 2-[[benzenesulfonylazanidyl-[3-(trifluoromethyl)phenyl]iminomethyl]thio]acetate IUPAC Name: 2-[C-(benzenesulfonylazanidyl)-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]sulfanylacetate Traditional Name: 2-[[C-besylazanidyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]thio]acetate Formula: C16H11F3N2O4S2-2 MolecularWeight: 416.39475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[N-]C(=NC2=CC=CC(=C2)C(F)(F)F)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[N-]C(=NC2=CC=CC(=C2)C(F)(F)F)SCC(=O)[O-]

InChI

InChI=1S/C16H13F3N2O4S2/c17-16(18,19)11-5-4-6-12(9-11)20-15(26-10-14(22)23)21-27(24,25)13-7-2-1-3-8-13/h1-9H,10H2,(H2,20,21,22,23)/p-2