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

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-(p-tolylsulfonylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(tosylamino)propionic acid Formula: C10H13NO4S2 MolecularWeight: 275.34452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CS)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CS)C(=O)O

InChI

InChI=1S/C10H13NO4S2/c1-7-2-4-8(5-3-7)17(14,15)11-9(6-16)10(12)13/h2-5,9,11,16H,6H2,1H3,(H,12,13)