phenylsulfonylamino 3-[[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: phenylsulfonylamino 3-[[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]phenyl]methyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[4-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C25H28N6O5S MolecularWeight: 524.59202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O5S/c32-23(36-29-37(34,35)22-6-2-1-3-7-22)12-15-26-24(33)20-8-10-21(11-9-20)30-16-5-17-31(19-18-30)25-27-13-4-14-28-25/h1-4,6-11,13-14,29H,5,12,15-19H2,(H,26,33)