[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] (2S,3R)-2-methyl-3-oxidanyl-decanoate

Systemtic Name: [(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] (2S,3R)-2-methyl-3-oxidanyl-decanoate Openeye Name: [(2S)-3-methyl-2-(p-tolylsulfonylamino)butyl] (2S,3R)-3-hydroxy-2-methyl-decanoate CAS Name: (2S,3R)-3-hydroxy-2-methyldecanoic acid [(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] ester IUPAC Name: [(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] (2S,3R)-3-hydroxy-2-methyldecanoate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-capric acid [(2S)-3-methyl-2-(tosylamino)butyl] ester Formula: C23H39NO5S MolecularWeight: 441.62446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C)C(=O)OCC(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCCC[C@H]([C@H](C)C(=O)OC[C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C23H39NO5S/c1-6-7-8-9-10-11-22(25)19(5)23(26)29-16-21(17(2)3)24-30(27,28)20-14-12-18(4)13-15-20/h12-15,17,19,21-22,24-25H,6-11,16H2,1-5H3/t19-,21+,22+/m0/s1