N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N'-isopropyl-oxamide CAS Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide Traditional Name: N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N'-isopropyl-oxamide Formula: C17H26FN4O4S+ MolecularWeight: 401.476143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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