tert-butyl 6-cyclohexyl-3-[3-(phenylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]hexanoate

Systemtic Name: tert-butyl 6-cyclohexyl-3-[3-(phenylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]hexanoate Openeye Name: tert-butyl 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate CAS Name: 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate Traditional Name: 3-[3-(besylmethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid tert-butyl ester Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H36N2O5S/c1-25(2,3)31-23(28)17-20(14-10-13-19-11-6-4-7-12-19)24-26-22(27-32-24)18-33(29,30)21-15-8-5-9-16-21/h5,8-9,15-16,19-20H,4,6-7,10-14,17-18H2,1-3H3