2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-3-oxo-1-(p-tolylsulfonyl)piperazin-2-yl]acetic acid CAS Name: 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[(2R)-3-keto-1-tosyl-piperazin-2-yl]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)N2CCNC(=O)C2CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-9-2-4-10(5-3-9)21(19,20)15-7-6-14-13(18)11(15)8-12(16)17/h2-5,11H,6-8H2,1H3,(H,14,18)(H,16,17)/t11-/m1/s1