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

Systemtic Name: cyanomethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: cyanomethyl (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid cyanomethyl ester Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC#N

InChI

InChI=1S/C12H14N2O4S/c1-9-3-5-11(6-4-9)19(16,17)14-10(2)12(15)18-8-7-13/h3-6,10,14H,8H2,1-2H3/t10-/m0/s1