2-(phenylsulfonylamino)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylamino]propanoic acid

Systemtic Name: 2-(phenylsulfonylamino)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methylamino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[4-[4-(2-pyrimidyl)piperazino]benzyl]amino]propionic acid Formula: C24H28N6O4S MolecularWeight: 496.58192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CNCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CNCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C24H28N6O4S/c31-23(32)22(28-35(33,34)21-5-2-1-3-6-21)18-25-17-19-7-9-20(10-8-19)29-13-15-30(16-14-29)24-26-11-4-12-27-24/h1-12,22,25,28H,13-18H2,(H,31,32)