methyl 2-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C14H14ClF3N2O5S MolecularWeight: 414.78457

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C14H14ClF3N2O5S/c1-25-12(21)7-11-13(22)19-4-5-20(11)26(23,24)8-2-3-10(15)9(6-8)14(16,17)18/h2-3,6,11H,4-5,7H2,1H3,(H,19,22)