4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-benzenesulfonamide

Systemtic Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-benzenesulfonamide Openeye Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-benzenesulfonamide CAS Name: 4-[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-methylbenzenesulfonamide IUPAC Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methylbenzenesulfonamide Traditional Name: 4-[4-(4-cyanobenzyl)piperazin-4-ium-1-carbonyl]-N-methyl-benzenesulfonamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O3S/c1-22-28(26,27)19-8-6-18(7-9-19)20(25)24-12-10-23(11-13-24)15-17-4-2-16(14-21)3-5-17/h2-9,22H,10-13,15H2,1H3/p+1