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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCN1C2=CC=CC(=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)CNC4=NC=CC=N4

Isomeric SMILES

COC1(CCCN1C2=CC=CC(=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)CNC4=NC=CC=N4

InChI

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