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

Systemtic Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-2H-1,3-oxazol-3-yl]benzoic acid Openeye Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-2H-oxazol-3-yl]benzoic acid CAS Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-2H-oxazol-3-yl]benzoic acid IUPAC Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-2H-1,3-oxazol-3-yl]benzoic acid Traditional Name: 4-[5-[4-(7-methoxyheptylsulfonyl)phenyl]-4-oxazolin-3-yl]benzoic acid Formula: C24H29NO6S MolecularWeight: 459.55516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=CN(CO2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=CN(CO2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H29NO6S/c1-30-15-5-3-2-4-6-16-32(28,29)22-13-9-19(10-14-22)23-17-25(18-31-23)21-11-7-20(8-12-21)24(26)27/h7-14,17H,2-6,15-16,18H2,1H3,(H,26,27)