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

Systemtic Name: 2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-isopropyl-acetamide Formula: C17H26FN4O4S+ MolecularWeight: 401.476143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN4O4S/c1-13(2)20-16(23)11-19-17(24)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,(H,19,24)(H,20,23)/p+1