[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] (2S,3R)-2,5-dimethyl-3-oxidanyl-hexanoate

Systemtic Name: [(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] (2S,3R)-2,5-dimethyl-3-oxidanyl-hexanoate Openeye Name: [(2S)-3-methyl-2-(p-tolylsulfonylamino)butyl] (2S,3R)-3-hydroxy-2,5-dimethyl-hexanoate CAS Name: (2S,3R)-3-hydroxy-2,5-dimethylhexanoic acid [(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] ester IUPAC Name: [(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl] (2S,3R)-3-hydroxy-2,5-dimethylhexanoate Traditional Name: (2S,3R)-3-hydroxy-2,5-dimethyl-hexanoic acid [(2S)-3-methyl-2-(tosylamino)butyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(COC(=O)C(C)C(CC(C)C)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-13(2)11-19(22)16(6)20(23)26-12-18(14(3)4)21-27(24,25)17-9-7-15(5)8-10-17/h7-10,13-14,16,18-19,21-22H,11-12H2,1-6H3/t16-,18+,19+/m0/s1