3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoic acid CAS Name: 3-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-fluorophenyl)sulfonylpiperazino]propionic acid Formula: C13H17FN2O4S MolecularWeight: 316.348483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C13H17FN2O4S/c14-11-2-1-3-12(10-11)21(19,20)16-8-6-15(7-9-16)5-4-13(17)18/h1-3,10H,4-9H2,(H,17,18)