3-[3-[[methylsulfonyl(4-oxidanylnonyl)amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[methylsulfonyl(4-oxidanylnonyl)amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[4-hydroxynonyl(methylsulfonyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[4-hydroxynonyl(methylsulfonyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[4-hydroxynonyl(methylsulfonyl)amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[4-hydroxynonyl(mesyl)amino]methyl]phenyl]propionic acid Formula: C20H33NO5S MolecularWeight: 399.54472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCN(CC1=CC=CC(=C1)CCC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CCCCCC(CCCN(CC1=CC=CC(=C1)CCC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C20H33NO5S/c1-3-4-5-10-19(22)11-7-14-21(27(2,25)26)16-18-9-6-8-17(15-18)12-13-20(23)24/h6,8-9,15,19,22H,3-5,7,10-14,16H2,1-2H3,(H,23,24)