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

Systemtic Name: 1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-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 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C23H23F2N3O5S MolecularWeight: 491.507626

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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(=C(C=C3)F)S(=O)(=O)N4CCCCC4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H23F2N3O5S/c1-14-6-7-16(12-19(14)25)21-26-22(33-27-21)15(2)32-23(29)17-8-9-18(24)20(13-17)34(30,31)28-10-4-3-5-11-28/h6-9,12-13,15H,3-5,10-11H2,1-2H3