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

Systemtic Name: 2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(2-methylsulfonylphenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(2-mesylphenyl)piperazino]acetic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-20(18,19)12-5-3-2-4-11(12)15-8-6-14(7-9-15)10-13(16)17/h2-5H,6-10H2,1H3,(H,16,17)