2-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-(2,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2-thienyl)ethanone Formula: C16H17F2N2O3S2+ MolecularWeight: 387.444586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=CS2)S(=O)(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=CS2)S(=O)(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C16H16F2N2O3S2/c17-12-3-4-16(13(18)10-12)25(22,23)20-7-5-19(6-8-20)11-14(21)15-2-1-9-24-15/h1-4,9-10H,5-8,11H2/p+1