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

Systemtic Name: 3-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid CAS Name: 3-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(4-mesylphenyl)sulfonylamino]butyric acid Formula: C11H15NO6S2 MolecularWeight: 321.3699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO6S2/c1-8(7-11(13)14)12-20(17,18)10-5-3-9(4-6-10)19(2,15)16/h3-6,8,12H,7H2,1-2H3,(H,13,14)