2-(3-methylsulfonylpropanoylamino)-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-methylsulfonylpropanoylamino)-2-phenyl-ethanoic acid Openeye Name: 2-(3-methylsulfonylpropanoylamino)-2-phenyl-acetic acid CAS Name: 2-[(3-methylsulfonyl-1-oxopropyl)amino]-2-phenylacetic acid IUPAC Name: 2-(3-methylsulfonylpropanoylamino)-2-phenylacetic acid Traditional Name: 2-(3-mesylpropanoylamino)-2-phenyl-acetic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)NC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)NC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H15NO5S/c1-19(17,18)8-7-10(14)13-11(12(15)16)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)