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

Systemtic Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=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=C(C=C4)C#N

InChI

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