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

Systemtic Name: 2-[4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]phenyl]benzonitrile Formula: C24H25N4O2S2+ MolecularWeight: 465.6109

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H24N4O2S2/c1-27-12-14-28(15-13-27)32(29,30)22-10-11-24(26-17-22)31-18-19-6-8-20(9-7-19)23-5-3-2-4-21(23)16-25/h2-11,17H,12-15,18H2,1H3/p+1