N-[(2S)-2-ethylhexyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H33FN3O3S+ MolecularWeight: 414.557723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H32FN3O3S/c1-3-5-8-17(4-2)15-22-20(25)16-23-11-13-24(14-12-23)28(26,27)19-10-7-6-9-18(19)21/h6-7,9-10,17H,3-5,8,11-16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1