3-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-[(2-fluorophenyl)thio]ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-[(2-fluorophenyl)thio]ethyl]piperazino]propionic acid Formula: C15H21FN2O2S MolecularWeight: 312.402843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CCSC2=CC=CC=C2F

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CCSC2=CC=CC=C2F

InChI

InChI=1S/C15H21FN2O2S/c16-13-3-1-2-4-14(13)21-12-11-18-9-7-17(8-10-18)6-5-15(19)20/h1-4H,5-12H2,(H,19,20)