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

Systemtic Name: 3-[4-(2-methylsulfonylphenyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2-methylsulfonylphenyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(2-methylsulfonylphenyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-methylsulfonylphenyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2-mesylphenyl)piperazino]propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-21(19,20)13-5-3-2-4-12(13)16-10-8-15(9-11-16)7-6-14(17)18/h2-5H,6-11H2,1H3,(H,17,18)