4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enoic acid

Systemtic Name: 4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enoic acid Openeye Name: 4-oxo-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enoic acid CAS Name: 4-oxo-4-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-2-butenoic acid IUPAC Name: 4-oxo-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]but-2-enoic acid Traditional Name: 4-keto-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]but-2-enoic acid Formula: C15H15F3N2O5S MolecularWeight: 392.35021

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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=CC(=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)