[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [3-[[2-(4-fluorophenyl)-5-methyl-oxazol-4-yl]methoxy]cyclohexyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [3-[[2-(4-fluorophenyl)-5-methyl-4-oxazolyl]methoxy]cyclohexyl] ester IUPAC Name: [3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [3-[[2-(4-fluorophenyl)-5-methyl-oxazol-4-yl]methoxy]cyclohexyl] ester Formula: C24H25FN2O7S MolecularWeight: 504.527903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2CCCC(C2)OCC3=C(OC(=N3)C4=CC=C(C=C4)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2CCCC(C2)OCC3=C(OC(=N3)C4=CC=C(C=C4)F)C)[N+](=O)[O-]

InChI

InChI=1S/C24H25FN2O7S/c1-15-6-11-21(13-23(15)27(28)29)35(30,31)34-20-5-3-4-19(12-20)32-14-22-16(2)33-24(26-22)17-7-9-18(25)10-8-17/h6-11,13,19-20H,3-5,12,14H2,1-2H3