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

Systemtic Name: 3-methyl-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid Traditional Name: 2-[(4-mesylphenyl)sulfonylamino]-3-methyl-butyric acid Formula: C12H17NO6S2 MolecularWeight: 335.39648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO6S2/c1-8(2)11(12(14)15)13-21(18,19)10-6-4-9(5-7-10)20(3,16)17/h4-8,11,13H,1-3H3,(H,14,15)