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

Systemtic Name: phenylsulfonylamino 3-[[4-[2-(pyrimidin-2-ylamino)pyrrolidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[4-[2-(pyrimidin-2-ylamino)pyrrolidin-1-yl]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[2-(2-pyrimidinylamino)-1-pyrrolidinyl]phenyl]methyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[4-[2-(pyrimidin-2-ylamino)pyrrolidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[2-(2-pyrimidylamino)pyrrolidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C24H26N6O5S MolecularWeight: 510.56544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=C(C=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CC(N(C1)C2=CC=C(C=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C24H26N6O5S/c31-22(35-29-36(33,34)20-6-2-1-3-7-20)13-16-25-23(32)18-9-11-19(12-10-18)30-17-4-8-21(30)28-24-26-14-5-15-27-24/h1-3,5-7,9-12,14-15,21,29H,4,8,13,16-17H2,(H,25,32)(H,26,27,28)