S-[4-[[3-chloranyl-4-(trifluoromethylsulfonyloxy)phenyl]carbamoylamino]phenyl] 2,2,2-tris(fluoranyl)ethanethioate

Systemtic Name: S-[4-[[3-chloranyl-4-(trifluoromethylsulfonyloxy)phenyl]carbamoylamino]phenyl] 2,2,2-tris(fluoranyl)ethanethioate Openeye Name: S-[4-[[3-chloro-4-(trifluoromethylsulfonyloxy)phenyl]carbamoylamino]phenyl] 2,2,2-trifluoroethanethioate CAS Name: 2,2,2-trifluoroethanethioic acid S-[4-[[[3-chloro-4-(trifluoromethylsulfonyloxy)anilino]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4-[[3-chloro-4-(trifluoromethylsulfonyloxy)phenyl]carbamoylamino]phenyl] 2,2,2-trifluoroethanethioate Traditional Name: 2,2,2-trifluoroethanethioic acid S-[4-[(3-chloro-4-triflyloxy-phenyl)carbamoylamino]phenyl] ester Formula: C16H9ClF6N2O5S2 MolecularWeight: 522.826479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)Cl)SC(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)Cl)SC(=O)C(F)(F)F

InChI

InChI=1S/C16H9ClF6N2O5S2/c17-11-7-9(3-6-12(11)30-32(28,29)16(21,22)23)25-14(27)24-8-1-4-10(5-2-8)31-13(26)15(18,19)20/h1-7H,(H2,24,25,27)