2-cyano-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: 2-cyano-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 2-cyano-N-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 2-cyano-N-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: 2-cyano-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: 2-cyano-N-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H24N4O3S/c1-17-6-2-3-8-19(17)16-24-10-12-25(13-11-24)21(26)15-23-29(27,28)20-9-5-4-7-18(20)14-22/h2-9,23H,10-13,15-16H2,1H3/p+1