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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C20H26FN4O3S+ MolecularWeight: 421.508843

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O3S/c21-17-3-5-18(6-4-17)25-13-11-24(12-14-25)15-20(26)23-10-9-16-1-7-19(8-2-16)29(22,27)28/h1-8H,9-15H2,(H,23,26)(H2,22,27,28)/p+1