2-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Openeye Name: 2-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide CAS Name: 2-fluoro-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Traditional Name: 2-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Formula: C18H21FN3O3S+ MolecularWeight: 378.441043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H20FN3O3S/c1-21-10-12-22(13-11-21)26(24,25)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,23)/p+1