2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-(2-bromo-4-fluorophenoxy)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C19H22BrFN3O4S+ MolecularWeight: 487.363083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C19H21BrFN3O4S/c1-23-8-10-24(11-9-23)29(26,27)16-5-3-15(4-6-16)22-19(25)13-28-18-7-2-14(21)12-17(18)20/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1