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

Systemtic Name: 6-cyclohexyl-3-[3-[(phenylmethyl)sulfonylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoate Openeye Name: 3-[3-(benzylsulfonylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate CAS Name: 6-cyclohexyl-3-[3-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoate IUPAC Name: 3-[3-(benzylsulfonylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate Traditional Name: 3-[3-(benzylsulfonylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate Formula: C22H28N3O6S- MolecularWeight: 462.53922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(CC(=O)[O-])C2=NC(=NO2)C(=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCCC(CC(=O)[O-])C2=NC(=NO2)C(=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O6S/c26-19(27)14-18(13-7-12-16-8-3-1-4-9-16)22-23-20(24-31-22)21(28)25-32(29,30)15-17-10-5-2-6-11-17/h2,5-6,10-11,16,18H,1,3-4,7-9,12-15H2,(H,25,28)(H,26,27)/p-1