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

Systemtic Name: phenylsulfonylamino 3-[[3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[3-[4-[(pyrimidin-2-ylamino)methyl]-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[3-[4-[(2-pyrimidinylamino)methyl]-1-piperidinyl]phenyl]methyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-[4-[(2-pyrimidylamino)methyl]piperidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C26H30N6O5S MolecularWeight: 538.6186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=CC=N2)C3=CC=CC(=C3)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CNC2=NC=CC=N2)C3=CC=CC(=C3)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O5S/c33-24(37-31-38(35,36)23-8-2-1-3-9-23)10-15-27-25(34)21-6-4-7-22(18-21)32-16-11-20(12-17-32)19-30-26-28-13-5-14-29-26/h1-9,13-14,18,20,31H,10-12,15-17,19H2,(H,27,34)(H,28,29,30)