2-[4-(2-methylphenyl)piperazin-1-yl]sulfonylethanoic acid

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-yl]sulfonylethanoic acid Openeye Name: 2-[4-(o-tolyl)piperazin-1-yl]sulfonylacetic acid CAS Name: 2-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]acetic acid IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-yl]sulfonylacetic acid Traditional Name: 2-[4-(o-tolyl)piperazino]sulfonylacetic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC(=O)O

InChI

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