2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-azanylbenzoate

Systemtic Name: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-azanylbenzoate Openeye Name: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate CAS Name: 2-aminobenzoic acid 2-[4-[3-(trifluoromethylthio)phenyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-aminobenzoate Traditional Name: 2-aminobenzoic acid 2-[4-[3-(trifluoromethylthio)phenyl]piperazino]ethyl ester Formula: C20H22F3N3O2S MolecularWeight: 425.46779

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=CC=C2N)C3=CC(=CC=C3)SC(F)(F)F

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=CC=C2N)C3=CC(=CC=C3)SC(F)(F)F

InChI

InChI=1S/C20H22F3N3O2S/c21-20(22,23)29-16-5-3-4-15(14-16)26-10-8-25(9-11-26)12-13-28-19(27)17-6-1-2-7-18(17)24/h1-7,14H,8-13,24H2