2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-keto-2-(4-tosylpiperazino)acetic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-10-2-4-11(5-3-10)21(19,20)15-8-6-14(7-9-15)12(16)13(17)18/h2-5H,6-9H2,1H3,(H,17,18)