(2S)-2-[(4-methylphenyl)sulfonylamino]-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-propanoate

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-propanoate Openeye Name: (2S)-3-(2-oxido-2-oxo-ethyl)sulfanyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-oxido-2-oxoethyl)thio]propanoate IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-(2-oxido-2-oxoethyl)sulfanylpropanoate Traditional Name: (2S)-3-[(2-keto-2-oxido-ethyl)thio]-2-(tosylamino)propionate Formula: C12H13NO6S2-2 MolecularWeight: 331.36472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CSCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H15NO6S2/c1-8-2-4-9(5-3-8)21(18,19)13-10(12(16)17)6-20-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)/p-2/t10-/m1/s1