2-fluoranyl-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Openeye Name: 2-fluoro-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide CAS Name: 2-fluoro-N-[2-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]ethyl]benzamide IUPAC Name: 2-fluoro-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Traditional Name: 2-fluoro-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3F

InChI

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