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

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-3-methylbutan-2-yl]ethanamide Openeye Name: N-[(1R)-1,2-dimethylpropyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2R)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide Traditional Name: N-[(1R)-1,2-dimethylpropyl]-2-[4-(3-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(=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C17H26FN3O3S/c1-13(2)14(3)19-17(22)12-20-7-9-21(10-8-20)25(23,24)16-6-4-5-15(18)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,19,22)/p+1/t14-/m1/s1