2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C22H28N5O3S+ MolecularWeight: 442.55442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27N5O3S/c23-15-19-1-3-20(4-2-19)16-26-11-13-27(14-12-26)17-22(28)25-10-9-18-5-7-21(8-6-18)31(24,29)30/h1-8H,9-14,16-17H2,(H,25,28)(H2,24,29,30)/p+1