3-[1-[(2-methylphenyl)sulfonylamino]-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[1-[(2-methylphenyl)sulfonylamino]-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-hydroxy-1-(o-tolylsulfonylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-hydroxy-1-[(2-methylphenyl)sulfonylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-hydroxy-1-[(2-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-hydroxy-2-keto-1-(o-tolylsulfonylamino)ethyl]thio]propionic acid Formula: C12H15NO6S2 MolecularWeight: 333.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(C(=O)O)SCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(C(=O)O)SCCC(=O)O

InChI

InChI=1S/C12H15NO6S2/c1-8-4-2-3-5-9(8)21(18,19)13-11(12(16)17)20-7-6-10(14)15/h2-5,11,13H,6-7H2,1H3,(H,14,15)(H,16,17)