3-[(4-methylsulfonylphenyl)carbonylamino]propanoate

Systemtic Name: 3-[(4-methylsulfonylphenyl)carbonylamino]propanoate Openeye Name: 3-[(4-methylsulfonylbenzoyl)amino]propanoate CAS Name: 3-[[(4-methylsulfonylphenyl)-oxomethyl]amino]propanoate IUPAC Name: 3-[(4-methylsulfonylbenzoyl)amino]propanoate Traditional Name: 3-[(4-mesylbenzoyl)amino]propionate Formula: C11H12NO5S- MolecularWeight: 270.28168

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCC(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCC(=O)[O-]

InChI

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