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

Systemtic Name: methyl 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoate CAS Name: 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoate Traditional Name: 4-[[2-(cyclopentylsulfinylamino)-5-(trifluoromethyl)phenoxy]methyl]benzoic acid methyl ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(F)(F)F)NS(=O)C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(F)(F)F)NS(=O)C3CCCC3

InChI

InChI=1S/C21H22F3NO4S/c1-28-20(26)15-8-6-14(7-9-15)13-29-19-12-16(21(22,23)24)10-11-18(19)25-30(27)17-4-2-3-5-17/h6-12,17,25H,2-5,13H2,1H3