2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(4-fluorophenyl)thio]ethyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(4-fluorophenyl)thio]ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C19H21FN3O2S2+ MolecularWeight: 406.517343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCSC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CCSC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H20FN3O2S2/c20-17-5-7-18(8-6-17)26-14-13-22-9-11-23(12-10-22)27(24,25)19-4-2-1-3-16(19)15-21/h1-8H,9-14H2/p+1