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

Systemtic Name: phenylsulfonylamino 3-[[3-fluoranyl-4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[3-fluoro-4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[[3-fluoro-4-[2-methyl-4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[3-fluoro-4-(2-methyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[3-fluoro-4-[2-methyl-4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C25H27FN6O5S MolecularWeight: 542.582483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)F)C4=NC=CC=N4

Isomeric SMILES

CC1CN(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/C25H27FN6O5S/c1-18-17-31(25-28-11-5-12-29-25)14-15-32(18)22-9-8-19(16-21(22)26)24(34)27-13-10-23(33)37-30-38(35,36)20-6-3-2-4-7-20/h2-9,11-12,16,18,30H,10,13-15,17H2,1H3,(H,27,34)