(2S)-4-methylsulfonyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoate Traditional Name: (2S)-4-mesyl-2-[[(E)-3-phenylacryloyl]amino]butyrate Formula: C14H16NO5S- MolecularWeight: 310.34554

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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=C/C1=CC=CC=C1

InChI

InChI=1S/C14H17NO5S/c1-21(19,20)10-9-12(14(17)18)15-13(16)8-7-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,15,16)(H,17,18)/p-1/b8-7+/t12-/m0/s1