4-methyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]hexanoic acid

Systemtic Name: 4-methyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]hexanoic acid Openeye Name: 4-methyl-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]hexanoic acid CAS Name: 4-methyl-3-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]hexanoic acid IUPAC Name: 4-methyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]hexanoic acid Traditional Name: 4-methyl-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]hexanoic acid Formula: C22H31N3O5S MolecularWeight: 449.56364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=CC=CC=N2

Isomeric SMILES

CCC(C)C(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=CC=CC=N2

InChI

InChI=1S/C22H31N3O5S/c1-3-17(2)20(16-22(26)27)25-31(28,29)19-10-8-9-18(15-19)30-14-7-6-13-24-21-11-4-5-12-23-21/h4-5,8-12,15,17,20,25H,3,6-7,13-14,16H2,1-2H3,(H,23,24)(H,26,27)