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

Systemtic Name: 3-[(4-methylsulfonylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(4-methylsulfonylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[(4-methylsulfonylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(4-methylsulfonylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(4-mesylphenyl)sulfonylamino]propionic acid Formula: C10H13NO6S2 MolecularWeight: 307.34332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO6S2/c1-18(14,15)8-2-4-9(5-3-8)19(16,17)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)