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

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)C3=CC=CC=C3

InChI

InChI=1S/C21H26FN3O3S/c1-17(18-7-3-2-4-8-18)15-23-21(26)16-24-11-13-25(14-12-24)29(27,28)20-10-6-5-9-19(20)22/h2-10,17H,11-16H2,1H3,(H,23,26)/p+1/t17-/m1/s1