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

Systemtic Name: 3-[[3-fluoranyl-4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[3-fluoro-4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[3-fluoro-4-[2-methyl-4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[3-fluoro-4-(2-methyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[3-fluoro-4-[2-methyl-4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C25H27FN6O5S MolecularWeight: 542.582483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)F)C4=NC=CC=N4

Isomeric SMILES

CC1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C25H27FN6O5S/c1-17-16-31(25-27-10-5-11-28-25)12-13-32(17)22-9-8-18(14-20(22)26)23(33)29-15-21(24(34)35)30-38(36,37)19-6-3-2-4-7-19/h2-11,14,17,21,30H,12-13,15-16H2,1H3,(H,29,33)(H,34,35)