methyl 2-(butylsulfonylamino)-3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]propanoate

Systemtic Name: methyl 2-(butylsulfonylamino)-3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]propanoate Openeye Name: methyl 2-(butylsulfonylamino)-3-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenyl]propanoate CAS Name: 2-(butylsulfonylamino)-3-[4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(butylsulfonylamino)-3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]propanoate Traditional Name: 2-(butylsulfonylamino)-3-[4-[2-[4-(4-pyridyl)piperazino]acetyl]phenyl]propionic acid methyl ester Formula: C25H34N4O5S MolecularWeight: 502.62626

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O5S/c1-3-4-17-35(32,33)27-23(25(31)34-2)18-20-5-7-21(8-6-20)24(30)19-28-13-15-29(16-14-28)22-9-11-26-12-10-22/h5-12,23,27H,3-4,13-19H2,1-2H3