2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-m-anisyl-acetamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H24FN3O4S/c1-28-18-6-2-4-16(12-18)14-22-20(25)15-23-8-10-24(11-9-23)29(26,27)19-7-3-5-17(21)13-19/h2-7,12-13H,8-11,14-15H2,1H3,(H,22,25)/p+1