phenylsulfonylamino 3-[[4-(3,5-dimethyl-4-pyrimidin-2-yl-piperazin-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: phenylsulfonylamino 3-[[4-(3,5-dimethyl-4-pyrimidin-2-yl-piperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[4-(3,5-dimethyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[[4-[3,5-dimethyl-4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[4-(3,5-dimethyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[4-[3,5-dimethyl-4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C26H30N6O5S MolecularWeight: 538.6186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=CC=N2)C)C3=CC=C(C=C3)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(N1C2=NC=CC=N2)C)C3=CC=C(C=C3)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O5S/c1-19-17-31(18-20(2)32(19)26-28-14-6-15-29-26)22-11-9-21(10-12-22)25(34)27-16-13-24(33)37-30-38(35,36)23-7-4-3-5-8-23/h3-12,14-15,19-20,30H,13,16-18H2,1-2H3,(H,27,34)