3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]propanoic acid

Systemtic Name: 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]propanoic acid Openeye Name: 3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]propanoic acid CAS Name: 3-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]propanoic acid IUPAC Name: 3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]propanoic acid Traditional Name: 3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]propionic acid Formula: C15H18N4O4S MolecularWeight: 350.39282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCCC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCCC(=O)O)C

InChI

InChI=1S/C15H18N4O4S/c1-10-9-11(2)18-15(17-10)19-24(22,23)13-5-3-12(4-6-13)16-8-7-14(20)21/h3-6,9,16H,7-8H2,1-2H3,(H,20,21)(H,17,18,19)