3-[(4-methylsulfonylphenyl)amino]propanoic acid

Systemtic Name: 3-[(4-methylsulfonylphenyl)amino]propanoic acid Openeye Name: 3-(4-methylsulfonylanilino)propanoic acid CAS Name: 3-(4-methylsulfonylanilino)propanoic acid IUPAC Name: 3-(4-methylsulfonylanilino)propanoic acid Traditional Name: 3-(4-mesylanilino)propionic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4S/c1-16(14,15)9-4-2-8(3-5-9)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)