3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: 3-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C23H30FN4O4S+ MolecularWeight: 477.572103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)F

InChI

InChI=1S/C23H29FN4O4S/c1-17(29)19-4-7-22(21(24)16-19)28-14-12-27(13-15-28)11-9-23(30)26-10-8-18-2-5-20(6-3-18)33(25,31)32/h2-7,16H,8-15H2,1H3,(H,26,30)(H2,25,31,32)/p+1