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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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