2-[(3-methylsulfonylphenyl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(3-methylsulfonylphenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(3-methylsulfonylbenzoyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(3-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(3-mesylbenzoyl)amino]butyric acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S/c1-7(14)10(12(16)17)13-11(15)8-4-3-5-9(6-8)20(2,18)19/h3-7,10,14H,1-2H3,(H,13,15)(H,16,17)