N-[2-(4-fluorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23FN3O3S2+ MolecularWeight: 412.521923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22FN3O3S2/c19-16-5-3-15(4-6-16)7-8-20-17(23)14-21-9-11-22(12-10-21)27(24,25)18-2-1-13-26-18/h1-6,13H,7-12,14H2,(H,20,23)/p+1