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

Systemtic Name: [(5R)-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(5R)-3-(3-fluoro-4-thiomorpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-5-oxazolidinyl]methyl ester IUPAC Name: [(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(5R)-3-(3-fluoro-4-thiomorpholino-phenyl)-2-keto-oxazolidin-5-yl]methyl ester Formula: C21H23FN2O5S2 MolecularWeight: 466.546123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCSCC4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCSCC4)F

InChI

InChI=1S/C21H23FN2O5S2/c1-15-2-5-18(6-3-15)31(26,27)28-14-17-13-24(21(25)29-17)16-4-7-20(19(22)12-16)23-8-10-30-11-9-23/h2-7,12,17H,8-11,13-14H2,1H3/t17-/m1/s1