phenylsulfonylamino 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: phenylsulfonylamino 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[[3-methoxy-4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-methoxy-4-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C26H30N6O6S MolecularWeight: 554.618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCC(=O)ONS(=O)(=O)C2=CC=CC=C2)N3CCC(CC3)NC4=NC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCC(=O)ONS(=O)(=O)C2=CC=CC=C2)N3CCC(CC3)NC4=NC=CC=N4

InChI

InChI=1S/C26H30N6O6S/c1-37-23-18-19(8-9-22(23)32-16-11-20(12-17-32)30-26-28-13-5-14-29-26)25(34)27-15-10-24(33)38-31-39(35,36)21-6-3-2-4-7-21/h2-9,13-14,18,20,31H,10-12,15-17H2,1H3,(H,27,34)(H,28,29,30)