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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

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