(3-cyanophenyl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (3-cyanophenyl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3-cyanophenyl)methyl (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid (3-cyanobenzyl) ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H18N2O4S/c1-13-6-8-17(9-7-13)25(22,23)20-14(2)18(21)24-12-16-5-3-4-15(10-16)11-19/h3-10,14,20H,12H2,1-2H3/t14-/m0/s1