2-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 3-methylsulfanyl-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-(methylthio)propanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-3-methylsulfanylpropanoic acid Traditional Name: 3-(methylthio)-2-(tosylamino)propionic acid Formula: C11H15NO4S2 MolecularWeight: 289.3711

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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)NC(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)