2-cyano-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 2-cyano-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide Openeye Name: 2-cyano-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: 2-cyano-N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: 2-cyano-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide Traditional Name: 2-cyano-N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]benzenesulfonamide Formula: C18H20N5O3S+ MolecularWeight: 386.4481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H19N5O3S/c19-13-15-3-1-2-4-17(15)27(25,26)21-14-18(24)23-11-9-22(10-12-23)16-5-7-20-8-6-16/h1-8,21H,9-12,14H2/p+1