1-[6-[3,4-bis(fluoranyl)phenyl]sulfanylpyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[3,4-bis(fluoranyl)phenyl]sulfanylpyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-(3,4-difluorophenyl)sulfanyl-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[(3,4-difluorophenyl)thio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-(3,4-difluorophenyl)sulfanylpyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[(3,4-difluorophenyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C16H18F2N3O2S2+ MolecularWeight: 386.459826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC(=C(C=C3)F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H17F2N3O2S2/c1-20-6-8-21(9-7-20)25(22,23)13-3-5-16(19-11-13)24-12-2-4-14(17)15(18)10-12/h2-5,10-11H,6-9H2,1H3/p+1