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

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H27FN3O3S+ MolecularWeight: 372.477983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26FN3O3S/c1-13(2)14(3)19-17(22)12-20-8-10-21(11-9-20)25(23,24)16-7-5-4-6-15(16)18/h4-7,13-14H,8-12H2,1-3H3,(H,19,22)/p+1/t14-/m0/s1