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

Systemtic Name: 2-(butylsulfonylamino)-3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[1-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]-4-piperidyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[1-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-4-piperidinyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[1-[2-[4-(4-pyridyl)piperazino]acetyl]-4-piperidyl]propionic acid Formula: C23H37N5O5S MolecularWeight: 495.63538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C23H37N5O5S/c1-2-3-16-34(32,33)25-21(23(30)31)17-19-6-10-28(11-7-19)22(29)18-26-12-14-27(15-13-26)20-4-8-24-9-5-20/h4-5,8-9,19,21,25H,2-3,6-7,10-18H2,1H3,(H,30,31)