[5-(1-cyclohexyl-6-oxidanylidene-heptan-4-yl)-1,2,4-oxadiazol-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-(1-cyclohexyl-6-oxidanylidene-heptan-4-yl)-1,2,4-oxadiazol-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-[1-(3-cyclohexylpropyl)-3-oxo-butyl]-1,2,4-oxadiazol-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazol-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[1-(3-cyclohexylpropyl)-3-keto-butyl]-1,2,4-oxadiazol-3-yl]methyl ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NOC(=N2)C(CCCC3CCCCC3)CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NOC(=N2)C(CCCC3CCCCC3)CC(=O)C

InChI

InChI=1S/C23H32N2O5S/c1-17-11-13-21(14-12-17)31(27,28)29-16-22-24-23(30-25-22)20(15-18(2)26)10-6-9-19-7-4-3-5-8-19/h11-14,19-20H,3-10,15-16H2,1-2H3