methyl 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate

Systemtic Name: methyl 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate Openeye Name: methyl 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate CAS Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate Traditional Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H28N2O6S/c1-30-16-6-4-3-5-7-17-33(28,29)21-14-12-19(13-15-21)23-25-22(26-32-23)18-8-10-20(11-9-18)24(27)31-2/h8-15H,3-7,16-17H2,1-2H3