1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C25H25F2N2O3S+ MolecularWeight: 471.539406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24F2N2O3S/c1-18(30)21-3-2-4-24(17-21)33(31,32)29-15-13-28(14-16-29)25(19-5-9-22(26)10-6-19)20-7-11-23(27)12-8-20/h2-12,17,25H,13-16H2,1H3/p+1