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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3)C(=O)O

InChI

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