N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-fluoranyl-benzamide Openeye Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-fluoro-benzamide CAS Name: N-[5-(diethylsulfamoyl)-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-fluorobenzamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-fluorobenzamide Traditional Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-fluoro-benzamide Formula: C22H30FN4O3S+ MolecularWeight: 449.562003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H29FN4O3S/c1-4-27(5-2)31(29,30)17-10-11-21(26-14-12-25(3)13-15-26)20(16-17)24-22(28)18-8-6-7-9-19(18)23/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,28)/p+1