4-cyano-N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-cyano-N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide Openeye Name: 4-cyano-N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide CAS Name: 4-cyano-N-[[2-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 4-cyano-N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide Traditional Name: 4-cyano-N-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzyl]benzenesulfonamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H24N4O2S/c1-23-10-12-24(13-11-23)16-19-5-3-2-4-18(19)15-22-27(25,26)20-8-6-17(14-21)7-9-20/h2-9,22H,10-13,15-16H2,1H3/p+1