[(1S,2R)-1-methylsulfonyloxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecan-2-yl] methanesulfonate

Systemtic Name: [(1S,2R)-1-methylsulfonyloxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecan-2-yl] methanesulfonate Openeye Name: [(1R)-1-[(S)-methylsulfonyloxy-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl]pentadecyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2R)-1-methylsulfonyloxy-1-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]hexadecan-2-yl] ester IUPAC Name: [(1S,2R)-1-methylsulfonyloxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1R)-1-[(S)-methylsulfonyloxy-[(4S)-2-phenyl-2-oxazolin-4-yl]methyl]pentadecyl] ester Formula: C27H45NO7S2 MolecularWeight: 559.7787

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C1COC(=N1)C2=CC=CC=C2)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@@H]1COC(=N1)C2=CC=CC=C2)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C27H45NO7S2/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-25(34-36(2,29)30)26(35-37(3,31)32)24-22-33-27(28-24)23-19-16-15-17-20-23/h15-17,19-20,24-26H,4-14,18,21-22H2,1-3H3/t24-,25+,26-/m0/s1