3,3-dimethyl-2-[(3-methylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[(3-methylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(3-methylsulfonylbenzoyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(3-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 2-[(3-mesylbenzoyl)amino]-3,3-dimethyl-butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-14(2,3)11(13(17)18)15-12(16)9-6-5-7-10(8-9)21(4,19)20/h5-8,11H,1-4H3,(H,15,16)(H,17,18)