2-(2,6-dimethylphenoxy)ethyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCCOC2=C(C=CC=C2C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCCOC2=C(C=CC=C2C)C

InChI

InChI=1S/C22H29NO5S/c1-15(2)20(23-29(25,26)19-11-9-16(3)10-12-19)22(24)28-14-13-27-21-17(4)7-6-8-18(21)5/h6-12,15,20,23H,13-14H2,1-5H3/t20-/m0/s1