4-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazino]-4-keto-but-2-enoic acid Formula: C15H14ClF3N2O5S MolecularWeight: 426.79527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C=CC(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C15H14ClF3N2O5S/c16-11-2-1-10(15(17,18)19)9-12(11)27(25,26)21-7-5-20(6-8-21)13(22)3-4-14(23)24/h1-4,9H,5-8H2,(H,23,24)