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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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