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

Systemtic Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C24H22F2N3O2S+ MolecularWeight: 454.512186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H21F2N3O2S/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)28-12-14-29(15-13-28)32(30,31)23-3-1-2-18(16-23)17-27/h1-11,16,24H,12-15H2/p+1