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

Systemtic Name: 2-[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C21H26FN4O4S+ MolecularWeight: 449.518943

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O4S/c22-18-5-3-17(4-6-18)21(28)26-13-11-25(12-14-26)15-20(27)24-10-9-16-1-7-19(8-2-16)31(23,29)30/h1-8H,9-15H2,(H,24,27)(H2,23,29,30)/p+1