methyl 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate

Systemtic Name: methyl 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate Openeye Name: methyl 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate CAS Name: 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate Traditional Name: 4-[5-[4-(9-methoxynonylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O6S/c1-32-18-8-6-4-3-5-7-9-19-35(30,31)23-16-14-21(15-17-23)25-27-24(28-34-25)20-10-12-22(13-11-20)26(29)33-2/h10-17H,3-9,18-19H2,1-2H3