1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C23H24FN3O5S MolecularWeight: 473.517163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)F

InChI

InChI=1S/C23H24FN3O5S/c1-15-9-10-17(14-20(15)24)21-25-22(32-26-21)16(2)31-23(28)18-7-6-8-19(13-18)33(29,30)27-11-4-3-5-12-27/h6-10,13-14,16H,3-5,11-12H2,1-2H3