2-(butylsulfonylamino)-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid

Systemtic Name: 2-(butylsulfonylamino)-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Openeye Name: 2-(butylsulfonylamino)-4-[4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoic acid CAS Name: 2-(butylsulfonylamino)-4-[4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid IUPAC Name: 2-(butylsulfonylamino)-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Traditional Name: 2-(butylsulfonylamino)-4-[4-[4-(4-pyridyl)piperazino]phenoxy]butyric acid Formula: C23H32N4O5S MolecularWeight: 476.58898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C23H32N4O5S/c1-2-3-18-33(30,31)25-22(23(28)29)10-17-32-21-6-4-19(5-7-21)26-13-15-27(16-14-26)20-8-11-24-12-9-20/h4-9,11-12,22,25H,2-3,10,13-18H2,1H3,(H,28,29)