(2S)-N-ethyl-2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]propionamide Formula: C17H26FN4O4S+ MolecularWeight: 401.476143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN4O4S/c1-3-19-17(24)13(2)20-16(23)12-21-7-9-22(10-8-21)27(25,26)15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,24)(H,20,23)/p+1/t13-/m0/s1