[3-[3-fluoranyl-4-(1-oxidanylidenethian-4-yl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl 3-nitrobenzenesulfonate

Systemtic Name: [3-[3-fluoranyl-4-(1-oxidanylidenethian-4-yl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl 3-nitrobenzenesulfonate Openeye Name: [3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [3-[3-fluoro-4-(1-oxo-4-thianyl)phenyl]-2-oxo-5-oxazolidinyl]methyl ester IUPAC Name: [3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [3-[3-fluoro-4-(1-ketothian-4-yl)phenyl]-2-keto-oxazolidin-5-yl]methyl ester Formula: C21H21FN2O8S2 MolecularWeight: 512.528443

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CCC1C2=C(C=C(C=C2)N3CC(OC3=O)COS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CS(=O)CCC1C2=C(C=C(C=C2)N3CC(OC3=O)COS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H21FN2O8S2/c22-20-11-15(4-5-19(20)14-6-8-33(28)9-7-14)23-12-17(32-21(23)25)13-31-34(29,30)18-3-1-2-16(10-18)24(26)27/h1-5,10-11,14,17H,6-9,12-13H2