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

Systemtic Name: 6-cyclohexyl-3-[3-(phenylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]hexanoate Openeye Name: 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate CAS Name: 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate IUPAC Name: 3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate Traditional Name: 3-[3-(besylmethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate Formula: C21H27N2O5S- MolecularWeight: 419.51448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(CC(=O)[O-])C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCCC(CC(=O)[O-])C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O5S/c24-20(25)14-17(11-7-10-16-8-3-1-4-9-16)21-22-19(23-28-21)15-29(26,27)18-12-5-2-6-13-18/h2,5-6,12-13,16-17H,1,3-4,7-11,14-15H2,(H,24,25)/p-1