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

Systemtic Name: 3-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(2-methyl-5-methylsulfonyl-benzoyl)amino]propanoic acid CAS Name: 3-[[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(2-methyl-5-methylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 3-[(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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-8-3-4-9(19(2,17)18)7-10(8)12(16)13-6-5-11(14)15/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,15)