N-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C25H26F2N3O3S+ MolecularWeight: 486.554046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25F2N3O3S/c1-18(31)28-23-10-12-24(13-11-23)34(32,33)30-16-14-29(15-17-30)25(19-2-6-21(26)7-3-19)20-4-8-22(27)9-5-20/h2-13,25H,14-17H2,1H3,(H,28,31)/p+1