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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCSCC4)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCSCC4)F)C

InChI

InChI=1S/C21H23FN2O5S2/c1-14-3-6-19(15(2)11-14)31(26,27)29-20-13-24(21(25)28-20)16-4-5-18(17(22)12-16)23-7-9-30-10-8-23/h3-6,11-12,20H,7-10,13H2,1-2H3