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

Systemtic Name: cyanomethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: cyanomethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid cyanomethyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5S/c1-9(13(18)21-8-7-14)16-22(19,20)12-5-3-11(4-6-12)15-10(2)17/h3-6,9,16H,8H2,1-2H3,(H,15,17)/t9-/m0/s1