[(4R,5R)-3-hexyl-2-oxidanylidene-4-phenyl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(4R,5R)-3-hexyl-2-oxidanylidene-4-phenyl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(4R,5R)-3-hexyl-2-oxo-4-phenyl-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R,5R)-3-hexyl-2-oxo-4-phenyl-5-oxazolidinyl]methyl ester IUPAC Name: [(4R,5R)-3-hexyl-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4R,5R)-3-hexyl-2-keto-4-phenyl-oxazolidin-5-yl]methyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C(OC1=O)COS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCN1[C@@H]([C@@H](OC1=O)COS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO5S/c1-3-4-5-9-16-24-22(19-10-7-6-8-11-19)21(29-23(24)25)17-28-30(26,27)20-14-12-18(2)13-15-20/h6-8,10-15,21-22H,3-5,9,16-17H2,1-2H3/t21-,22+/m0/s1