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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4

InChI

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