2-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(2-methyl-5-methylsulfonyl-benzoyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(2-methyl-5-methylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[(5-mesyl-2-methyl-benzoyl)amino]propionic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H15NO6S/c1-7-3-4-8(20(2,18)19)5-9(7)11(15)13-10(6-14)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17)