2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C17H21FN3O3S2+ MolecularWeight: 398.495343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3O3S2/c18-14-3-5-16(6-4-14)26(23,24)21-9-7-20(8-10-21)13-17(22)19-12-15-2-1-11-25-15/h1-6,11H,7-10,12-13H2,(H,19,22)/p+1