ethyl 2-piperazin-1-yl-3-[[2-(trifluoromethylsulfanyl)phenyl]amino]benzoate

Systemtic Name: ethyl 2-piperazin-1-yl-3-[[2-(trifluoromethylsulfanyl)phenyl]amino]benzoate Openeye Name: ethyl 2-piperazin-1-yl-3-[2-(trifluoromethylsulfanyl)anilino]benzoate CAS Name: 2-(1-piperazinyl)-3-[2-(trifluoromethylthio)anilino]benzoic acid ethyl ester IUPAC Name: ethyl 2-piperazin-1-yl-3-[2-(trifluoromethylsulfanyl)anilino]benzoate Traditional Name: 2-piperazino-3-[2-(trifluoromethylthio)anilino]benzoic acid ethyl ester Formula: C20H22F3N3O2S MolecularWeight: 425.46779

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC2=CC=CC=C2SC(F)(F)F)N3CCNCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC2=CC=CC=C2SC(F)(F)F)N3CCNCC3

InChI

InChI=1S/C20H22F3N3O2S/c1-2-28-19(27)14-6-5-8-16(18(14)26-12-10-24-11-13-26)25-15-7-3-4-9-17(15)29-20(21,22)23/h3-9,24-25H,2,10-13H2,1H3