3-[2-methoxy-4-[3-(methylsulfonylamino)propoxy]phenyl]octanoic acid

Systemtic Name: 3-[2-methoxy-4-[3-(methylsulfonylamino)propoxy]phenyl]octanoic acid Openeye Name: 3-[4-[3-(methanesulfonamido)propoxy]-2-methoxy-phenyl]octanoic acid CAS Name: 3-[4-[3-(methanesulfonamido)propoxy]-2-methoxyphenyl]octanoic acid IUPAC Name: 3-[4-[3-(methanesulfonamido)propoxy]-2-methoxyphenyl]octanoic acid Traditional Name: 3-[4-[3-(methanesulfonamido)propoxy]-2-methoxy-phenyl]caprylic acid Formula: C19H31NO6S MolecularWeight: 401.51754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)C1=C(C=C(C=C1)OCCCNS(=O)(=O)C)OC

Isomeric SMILES

CCCCCC(CC(=O)O)C1=C(C=C(C=C1)OCCCNS(=O)(=O)C)OC

InChI

InChI=1S/C19H31NO6S/c1-4-5-6-8-15(13-19(21)22)17-10-9-16(14-18(17)25-2)26-12-7-11-20-27(3,23)24/h9-10,14-15,20H,4-8,11-13H2,1-3H3,(H,21,22)