2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-phenyl-amino]ethanoate

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-phenyl-amino]ethanoate Openeye Name: 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetate CAS Name: 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetate IUPAC Name: 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetate Traditional Name: 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetate Formula: C16H10F6NO4S- MolecularWeight: 426.310319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F6NO4S/c17-15(18,19)10-6-11(16(20,21)22)8-13(7-10)28(26,27)23(9-14(24)25)12-4-2-1-3-5-12/h1-8H,9H2,(H,24,25)/p-1