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

Systemtic Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-30-15-5-3-2-4-6-16-32(28,29)20-13-11-18(12-14-20)22-24-21(25-31-22)17-7-9-19(10-8-17)23(26)27/h7-14H,2-6,15-16H2,1H3,(H,26,27)