ethyl 2-(butylsulfonylamino)-3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]propanoate

Systemtic Name: ethyl 2-(butylsulfonylamino)-3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]propanoate Openeye Name: ethyl 2-(butylsulfonylamino)-3-[1-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]-4-piperidyl]propanoate CAS Name: 2-(butylsulfonylamino)-3-[1-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-4-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(butylsulfonylamino)-3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoate Traditional Name: 2-(butylsulfonylamino)-3-[1-[2-[4-(4-pyridyl)piperazino]acetyl]-4-piperidyl]propionic acid ethyl ester Formula: C25H41N5O5S MolecularWeight: 523.68854

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H41N5O5S/c1-3-5-18-36(33,34)27-23(25(32)35-4-2)19-21-8-12-30(13-9-21)24(31)20-28-14-16-29(17-15-28)22-6-10-26-11-7-22/h6-7,10-11,21,23,27H,3-5,8-9,12-20H2,1-2H3