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

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide Formula: C17H26FN4O4S+ MolecularWeight: 401.476143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN4O4S/c1-13(2)11-19-17(24)20-16(23)12-21-6-8-22(9-7-21)27(25,26)15-5-3-4-14(18)10-15/h3-5,10,13H,6-9,11-12H2,1-2H3,(H2,19,20,23,24)/p+1