2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]benzonitrile Formula: C18H21N4O2S2+ MolecularWeight: 389.51494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H20N4O2S2/c1-21-8-10-22(11-9-21)26(23,24)17-6-7-18(20-13-17)25-14-16-5-3-2-4-15(16)12-19/h2-7,13H,8-11,14H2,1H3/p+1