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

Systemtic Name: 3-cyano-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: 3-cyano-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 3-cyano-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 3-cyano-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H20N4O2S/c1-21-9-11-22(12-10-21)17-7-5-16(6-8-17)20-25(23,24)18-4-2-3-15(13-18)14-19/h2-8,13,20H,9-12H2,1H3/p+1