4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoate Openeye Name: 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoate CAS Name: 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoate IUPAC Name: 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoate Traditional Name: 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoate Formula: C20H19F3NO4S- MolecularWeight: 426.42937

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)S(=O)NC2=C(C=C(C=C2)C(F)(F)F)OCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(C1)S(=O)NC2=C(C=C(C=C2)C(F)(F)F)OCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H20F3NO4S/c21-20(22,23)15-9-10-17(24-29(27)16-3-1-2-4-16)18(11-15)28-12-13-5-7-14(8-6-13)19(25)26/h5-11,16,24H,1-4,12H2,(H,25,26)/p-1