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

Systemtic Name: 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(2-ethylsulfonylphenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(2-esylphenyl)piperazino]acetic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-2-21(19,20)13-6-4-3-5-12(13)16-9-7-15(8-10-16)11-14(17)18/h3-6H,2,7-11H2,1H3,(H,17,18)