N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O3S/c1-15-3-7-18(8-4-15)28(26,27)24-11-9-23(10-12-24)14-20(25)22-17-6-5-16(2)19(21)13-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1