2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O3S/c22-19-10-4-5-11-20(19)29(27,28)25-15-13-24(14-16-25)17-21(26)23-12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-17H2,(H,23,26)/p+1