1-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione

Systemtic Name: 1-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione Openeye Name: 1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione CAS Name: 1-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-pyridinethione IUPAC Name: 1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione Traditional Name: 1-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione Formula: C16H18F2N3O2S2+ MolecularWeight: 386.459826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=CC=CC2=S)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C=CC=CC2=S)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C16H17F2N3O2S2/c17-13-4-3-5-14(18)16(13)25(22,23)21-10-8-19(9-11-21)12-20-7-2-1-6-15(20)24/h1-7H,8-12H2/p+1