phenylsulfonylamino 3-[[3-fluoranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: phenylsulfonylamino 3-[[3-fluoranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[[3-fluoro-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[3-fluoro-4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C24H25FN6O5S MolecularWeight: 528.555903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C24H25FN6O5S/c25-20-17-18(7-8-21(20)30-13-15-31(16-14-30)24-27-10-4-11-28-24)23(33)26-12-9-22(32)36-29-37(34,35)19-5-2-1-3-6-19/h1-8,10-11,17,29H,9,12-16H2,(H,26,33)