(2S)-4-methylsulfonyl-2-(3-phenylprop-2-ynoylamino)butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-(3-phenylprop-2-ynoylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-(3-phenylprop-2-ynoylamino)butanoate CAS Name: (2S)-4-methylsulfonyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(3-phenylprop-2-ynoylamino)butanoate Traditional Name: (2S)-4-mesyl-2-[(3-phenylpropioloyl)amino]butyrate Formula: C14H14NO5S- MolecularWeight: 308.32966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C#CC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C#CC1=CC=CC=C1

InChI

InChI=1S/C14H15NO5S/c1-21(19,20)10-9-12(14(17)18)15-13(16)8-7-11-5-3-2-4-6-11/h2-6,12H,9-10H2,1H3,(H,15,16)(H,17,18)/p-1/t12-/m0/s1