2-[(4-methylsulfonylphenyl)amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-(4-methylsulfonylanilino)propanoic acid CAS Name: 3-hydroxy-2-(4-methylsulfonylanilino)propanoic acid IUPAC Name: 3-hydroxy-2-(4-methylsulfonylanilino)propanoic acid Traditional Name: 3-hydroxy-2-(4-mesylanilino)propionic acid Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(CO)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(CO)C(=O)O

InChI

InChI=1S/C10H13NO5S/c1-17(15,16)8-4-2-7(3-5-8)11-9(6-12)10(13)14/h2-5,9,11-12H,6H2,1H3,(H,13,14)