ethyl 2-[3-oxidanylidene-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-oxidanylidene-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[3-oxo-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[3-(trifluoromethyl)phenyl]sulfonyl-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-oxo-1-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-2-yl]acetic acid ethyl ester Formula: C15H17F3N2O5S MolecularWeight: 394.36609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H17F3N2O5S/c1-2-25-13(21)9-12-14(22)19-6-7-20(12)26(23,24)11-5-3-4-10(8-11)15(16,17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,19,22)