2-(butylsulfonylamino)-3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[4-[2-[4-(4-pyridyl)piperazino]acetyl]phenyl]propionic acid Formula: C24H32N4O5S MolecularWeight: 488.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C24H32N4O5S/c1-2-3-16-34(32,33)26-22(24(30)31)17-19-4-6-20(7-5-19)23(29)18-27-12-14-28(15-13-27)21-8-10-25-11-9-21/h4-11,22,26H,2-3,12-18H2,1H3,(H,30,31)