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

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c22-30(28,29)19-8-6-17(7-9-19)10-11-23-20(26)16-24-12-14-25(15-13-24)21(27)18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26)(H2,22,28,29)/p+1