2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=N3

InChI

InChI=1S/C19H25N5O3S/c20-28(26,27)17-6-4-16(5-7-17)8-10-22-19(25)15-23-11-13-24(14-12-23)18-3-1-2-9-21-18/h1-7,9H,8,10-15H2,(H,22,25)(H2,20,26,27)/p+1