cyanomethyl (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate

Systemtic Name: cyanomethyl (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: cyanomethyl (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propionic acid cyanomethyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC#N)NS(=O)(=O)C1=CC=C(C=C1)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC#N)NS(=O)(=O)C1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C13H14N2O5S/c1-9(13(17)20-8-7-14)15-21(18,19)12-5-3-11(4-6-12)10(2)16/h3-6,9,15H,8H2,1-2H3/t9-/m0/s1