N-(4-fluorophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H27FN3O5S+ MolecularWeight: 452.519583

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COCCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O5S/c1-29-14-15-30-19-6-8-20(9-7-19)31(27,28)25-12-10-24(11-13-25)16-21(26)23-18-4-2-17(22)3-5-18/h2-9H,10-16H2,1H3,(H,23,26)/p+1