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

Systemtic Name: phenylsulfonylamino 3-[[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]methylamino]propanoate Openeye Name: benzenesulfonamido 3-[[4-[4-(pyrimidin-2-ylamino)-1-piperidyl]phenyl]methylamino]propanoate CAS Name: 3-[[4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methylamino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]methylamino]propanoate Traditional Name: 3-[[4-[4-(2-pyrimidylamino)piperidino]benzyl]amino]propionic acid benzenesulfonamido ester Formula: C25H30N6O4S MolecularWeight: 510.6085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=CC=N2)C3=CC=C(C=C3)CNCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=NC=CC=N2)C3=CC=C(C=C3)CNCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O4S/c32-24(35-30-36(33,34)23-5-2-1-3-6-23)11-16-26-19-20-7-9-22(10-8-20)31-17-12-21(13-18-31)29-25-27-14-4-15-28-25/h1-10,14-15,21,26,30H,11-13,16-19H2,(H,27,28,29)