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

Systemtic Name: 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-[(2-fluorophenyl)thio]ethyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-[(2-fluorophenyl)thio]ethyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Formula: C19H24FN2O3S2+ MolecularWeight: 411.533863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCSC3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCSC3=CC=CC=C3F

InChI

InChI=1S/C19H23FN2O3S2/c1-25-16-6-8-17(9-7-16)27(23,24)22-12-10-21(11-13-22)14-15-26-19-5-3-2-4-18(19)20/h2-9H,10-15H2,1H3/p+1