N-[2-(2-fluorophenyl)ethyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2F)S(=O)(=O)CC3=CC=CC=C3

InChI

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