phenylsulfonylamino 3-[propyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonyl-amino]propanoate

Systemtic Name: phenylsulfonylamino 3-[propyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonyl-amino]propanoate Openeye Name: benzenesulfonamido 3-[propyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]-propylamino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[propyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[propyl-[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C27H32N6O5S MolecularWeight: 552.64518

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)ONS(=O)(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCN(CCC(=O)ONS(=O)(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C27H32N6O5S/c1-2-16-32(17-13-25(34)38-30-39(36,37)24-7-4-3-5-8-24)26(35)22-9-11-23(12-10-22)31-18-20-33(21-19-31)27-28-14-6-15-29-27/h3-12,14-15,30H,2,13,16-21H2,1H3