ethyl 4-[[2-(trifluoromethylsulfonyl)phenyl]amino]butanoate

Systemtic Name: ethyl 4-[[2-(trifluoromethylsulfonyl)phenyl]amino]butanoate Openeye Name: ethyl 4-[2-(trifluoromethylsulfonyl)anilino]butanoate CAS Name: 4-[2-(trifluoromethylsulfonyl)anilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(trifluoromethylsulfonyl)anilino]butanoate Traditional Name: 4-(2-triflylanilino)butyric acid ethyl ester Formula: C13H16F3NO4S MolecularWeight: 339.33065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=CC=CC=C1S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCCNC1=CC=CC=C1S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H16F3NO4S/c1-2-21-12(18)8-5-9-17-10-6-3-4-7-11(10)22(19,20)13(14,15)16/h3-4,6-7,17H,2,5,8-9H2,1H3