(2S)-2-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-propanoate

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-propanoate Openeye Name: (2S)-3-methylsulfanyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-(methylthio)propanoate IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-methylsulfanylpropanoate Traditional Name: (2S)-3-(methylthio)-2-(tosylamino)propionate Formula: C11H14NO4S2- MolecularWeight: 288.36316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S2/c1-8-3-5-9(6-4-8)18(15,16)12-10(7-17-2)11(13)14/h3-6,10,12H,7H2,1-2H3,(H,13,14)/p-1/t10-/m1/s1