2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,4,4-trimethylpentan-2-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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