2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid Openeye Name: 2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid CAS Name: 2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid IUPAC Name: 2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid Traditional Name: 2-[(4-mesylphenyl)sulfonylamino]butyric acid Formula: C11H15NO6S2 MolecularWeight: 321.3699

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C11H15NO6S2/c1-3-10(11(13)14)12-20(17,18)9-6-4-8(5-7-9)19(2,15)16/h4-7,10,12H,3H2,1-2H3,(H,13,14)