1-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-2-(3-chloranyl-4-fluoranyl-phenoxy)ethanone

Systemtic Name: 1-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-2-(3-chloranyl-4-fluoranyl-phenoxy)ethanone Openeye Name: 2-(3-chloro-4-fluoro-phenoxy)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-chloro-4-fluorophenoxy)-1-[4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-chloro-4-fluorophenoxy)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-chloro-4-fluoro-phenoxy)-1-[4-(2,5-difluorophenyl)sulfonylpiperazino]ethanone Formula: C18H16ClF3N2O4S MolecularWeight: 448.84385

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H16ClF3N2O4S/c19-14-10-13(2-4-15(14)21)28-11-18(25)23-5-7-24(8-6-23)29(26,27)17-9-12(20)1-3-16(17)22/h1-4,9-10H,5-8,11H2