3-cyano-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 3-cyano-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 3-cyano-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide CAS Name: 3-cyano-N-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Traditional Name: 3-cyano-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCNS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCNS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H26N4O2S/c1-18-5-2-7-20(15-18)25-13-11-24(12-14-25)10-4-9-23-28(26,27)21-8-3-6-19(16-21)17-22/h2-3,5-8,15-16,23H,4,9-14H2,1H3/p+1