3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid Openeye Name: 3-[4-(o-tolyl)piperazin-1-yl]sulfonylpropanoic acid CAS Name: 3-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]propanoic acid IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid Traditional Name: 3-[4-(o-tolyl)piperazino]sulfonylpropionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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