2-chloranyl-6-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenoxy]benzonitrile CAS Name: 2-chloro-6-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenoxy]benzonitrile IUPAC Name: 2-chloro-6-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenoxy]benzonitrile Traditional Name: 2-chloro-6-[4-(4-pyridin-1-ium-2-ylpiperazino)sulfonylphenoxy]benzonitrile Formula: C22H20ClN4O3S+ MolecularWeight: 455.9372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

InChI

InChI=1S/C22H19ClN4O3S/c23-20-4-3-5-21(19(20)16-24)30-17-7-9-18(10-8-17)31(28,29)27-14-12-26(13-15-27)22-6-1-2-11-25-22/h1-11H,12-15H2/p+1