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

Systemtic Name: 2-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]propanoic acid Openeye Name: 2-[(2-methyl-5-methylsulfonyl-benzoyl)amino]propanoic acid CAS Name: 2-[[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(2-methyl-5-methylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 2-[(5-mesyl-2-methyl-benzoyl)amino]propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-7-4-5-9(19(3,17)18)6-10(7)11(14)13-8(2)12(15)16/h4-6,8H,1-3H3,(H,13,14)(H,15,16)