3-[(3-methylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(3-methylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: 3-[(3-methylsulfonylbenzoyl)amino]propanoic acid CAS Name: 3-[[(3-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3-methylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 3-[(3-mesylbenzoyl)amino]propionic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCCC(=O)O

InChI

InChI=1S/C11H13NO5S/c1-18(16,17)9-4-2-3-8(7-9)11(15)12-6-5-10(13)14/h2-4,7H,5-6H2,1H3,(H,12,15)(H,13,14)