4-[[[2-(phenylsulfonylamino)-5-(trifluoromethyl)phenyl]amino]methyl]benzoate

Systemtic Name: 4-[[[2-(phenylsulfonylamino)-5-(trifluoromethyl)phenyl]amino]methyl]benzoate Openeye Name: 4-[[2-(benzenesulfonamido)-5-(trifluoromethyl)anilino]methyl]benzoate CAS Name: 4-[[2-(benzenesulfonamido)-5-(trifluoromethyl)anilino]methyl]benzoate IUPAC Name: 4-[[2-(benzenesulfonamido)-5-(trifluoromethyl)anilino]methyl]benzoate Traditional Name: 4-[[2-(benzenesulfonamido)-5-(trifluoromethyl)anilino]methyl]benzoate Formula: C21H16F3N2O4S- MolecularWeight: 449.42295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(F)(F)F)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(F)(F)F)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H17F3N2O4S/c22-21(23,24)16-10-11-18(26-31(29,30)17-4-2-1-3-5-17)19(12-16)25-13-14-6-8-15(9-7-14)20(27)28/h1-12,25-26H,13H2,(H,27,28)/p-1