6-cyclohexyl-3-(1,2,4-oxadiazol-5-yl)-3-(phenylsulfonylmethyl)hexanoic acid

Systemtic Name: 6-cyclohexyl-3-(1,2,4-oxadiazol-5-yl)-3-(phenylsulfonylmethyl)hexanoic acid Openeye Name: 3-(benzenesulfonylmethyl)-6-cyclohexyl-3-(1,2,4-oxadiazol-5-yl)hexanoic acid CAS Name: 3-(benzenesulfonylmethyl)-6-cyclohexyl-3-(1,2,4-oxadiazol-5-yl)hexanoic acid IUPAC Name: 3-(benzenesulfonylmethyl)-6-cyclohexyl-3-(1,2,4-oxadiazol-5-yl)hexanoic acid Traditional Name: 3-(besylmethyl)-6-cyclohexyl-3-(1,2,4-oxadiazol-5-yl)hexanoic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(CC(=O)O)(CS(=O)(=O)C2=CC=CC=C2)C3=NC=NO3

Isomeric SMILES

C1CCC(CC1)CCCC(CC(=O)O)(CS(=O)(=O)C2=CC=CC=C2)C3=NC=NO3

InChI

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