(2,5-dimethylphenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (2,5-dimethylphenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (2,5-dimethylphenyl)methyl (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (2,5-dimethylbenzyl) ester Formula: C21H27NO4S MolecularWeight: 389.50838

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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=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-14(2)20(22-27(24,25)19-10-7-15(3)8-11-19)21(23)26-13-18-12-16(4)6-9-17(18)5/h6-12,14,20,22H,13H2,1-5H3/t20-/m0/s1