N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H24BrFN3O3S+ MolecularWeight: 485.390263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H23BrFN3O3S/c1-14-3-4-15(2)19(11-14)29(27,28)25-9-7-24(8-10-25)13-20(26)23-18-6-5-16(21)12-17(18)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)/p+1