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

Systemtic Name: 2-(phenylsulfonylamino)-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[oxo-[3-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[3-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C24H26N6O5S MolecularWeight: 510.56544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O5S/c31-22(27-17-21(23(32)33)28-36(34,35)20-8-2-1-3-9-20)18-6-4-7-19(16-18)29-12-14-30(15-13-29)24-25-10-5-11-26-24/h1-11,16,21,28H,12-15,17H2,(H,27,31)(H,32,33)