3-[4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonylphenyl]propionic acid Formula: C21H23FN2O5S MolecularWeight: 434.481123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)F

InChI

InChI=1S/C21H23FN2O5S/c1-15(25)17-5-8-20(19(22)14-17)23-10-12-24(13-11-23)30(28,29)18-6-2-16(3-7-18)4-9-21(26)27/h2-3,5-8,14H,4,9-13H2,1H3,(H,26,27)