(E)-4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enoate Openeye Name: (E)-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enoate CAS Name: (E)-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-2-butenoate IUPAC Name: (E)-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enoate Traditional Name: (E)-4-keto-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]but-2-enoate Formula: C15H14F3N2O5S- MolecularWeight: 391.34227

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC(=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C(=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H15F3N2O5S/c16-15(17,18)11-2-1-3-12(10-11)26(24,25)20-8-6-19(7-9-20)13(21)4-5-14(22)23/h1-5,10H,6-9H2,(H,22,23)/p-1/b5-4+