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

Systemtic Name: 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[2-[(4-fluorophenyl)thio]ethyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-4-ium Traditional Name: 1-besyl-4-[2-[(4-fluorophenyl)thio]ethyl]piperazin-4-ium Formula: C18H22FN2O2S2+ MolecularWeight: 381.507883

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O2S2/c19-16-6-8-17(9-7-16)24-15-14-20-10-12-21(13-11-20)25(22,23)18-4-2-1-3-5-18/h1-9H,10-15H2/p+1