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

Systemtic Name: (2-cyanophenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (2-cyanophenyl)methyl (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (2-cyanobenzyl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C20H22N2O4S/c1-14(2)19(22-27(24,25)18-10-8-15(3)9-11-18)20(23)26-13-17-7-5-4-6-16(17)12-21/h4-11,14,19,22H,13H2,1-3H3/t19-/m0/s1