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

Systemtic Name: phenylsulfonylamino 2-[[4-[3-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 2-[[4-[3-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoyl]amino]propanoate CAS Name: 2-[[oxo-[4-[3-[(2-pyrimidinylamino)methyl]-1-pyrrolidinyl]phenyl]methyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 2-[[4-[3-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoyl]amino]propanoate Traditional Name: 2-[[4-[3-[(2-pyrimidylamino)methyl]pyrrolidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C25H28N6O5S MolecularWeight: 524.59202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ONS(=O)(=O)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N3CCC(C3)CNC4=NC=CC=N4

Isomeric SMILES

CC(C(=O)ONS(=O)(=O)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N3CCC(C3)CNC4=NC=CC=N4

InChI

InChI=1S/C25H28N6O5S/c1-18(24(33)36-30-37(34,35)22-6-3-2-4-7-22)29-23(32)20-8-10-21(11-9-20)31-15-12-19(17-31)16-28-25-26-13-5-14-27-25/h2-11,13-14,18-19,30H,12,15-17H2,1H3,(H,29,32)(H,26,27,28)