2-(4-fluorophenyl)-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]ethanamide

Systemtic Name: 2-(4-fluorophenyl)-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]ethanamide Openeye Name: 2-(4-fluorophenyl)-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]acetamide CAS Name: 2-(4-fluorophenyl)-N-[2-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]ethyl]acetamide IUPAC Name: 2-(4-fluorophenyl)-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]acetamide Traditional Name: 2-(4-fluorophenyl)-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]acetamide Formula: C22H29FN3O3S+ MolecularWeight: 434.547363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S/c23-21-8-6-20(7-9-21)18-22(27)24-11-17-30(28,29)26-15-13-25(14-16-26)12-10-19-4-2-1-3-5-19/h1-9H,10-18H2,(H,24,27)/p+1