2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-octan-2-yl]ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-octan-2-yl]ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylheptyl]acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylheptyl]acetamide Formula: C20H33FN3O3S+ MolecularWeight: 414.557723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C20H32FN3O3S/c1-3-4-5-6-8-17(2)22-20(25)16-23-11-13-24(14-12-23)28(26,27)19-10-7-9-18(21)15-19/h7,9-10,15,17H,3-6,8,11-14,16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1