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

Systemtic Name: 1-[2-(2-fluorophenyl)sulfanylethyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[2-[(2-fluorophenyl)thio]ethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[2-(2-fluorophenyl)sulfanylethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[2-[(2-fluorophenyl)thio]ethyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H20FN2O2S3+ MolecularWeight: 387.535603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCSC2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCSC2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H19FN2O2S3/c17-14-4-1-2-5-15(14)22-13-11-18-7-9-19(10-8-18)24(20,21)16-6-3-12-23-16/h1-6,12H,7-11,13H2/p+1