2-[4-[[6-chloranyl-5-(4-methylphenyl)pyrimidin-4-yl]sulfamoyl]phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[6-chloranyl-5-(4-methylphenyl)pyrimidin-4-yl]sulfamoyl]phenyl]-2-methyl-propanoic acid Openeye Name: 2-[4-[[6-chloro-5-(p-tolyl)pyrimidin-4-yl]sulfamoyl]phenyl]-2-methyl-propanoic acid CAS Name: 2-[4-[[6-chloro-5-(4-methylphenyl)-4-pyrimidinyl]sulfamoyl]phenyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]sulfamoyl]phenyl]-2-methylpropanoic acid Traditional Name: 2-[4-[[6-chloro-5-(p-tolyl)pyrimidin-4-yl]sulfamoyl]phenyl]-2-methyl-propionic acid Formula: C21H20ClN3O4S MolecularWeight: 445.9192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C(=O)O

InChI

InChI=1S/C21H20ClN3O4S/c1-13-4-6-14(7-5-13)17-18(22)23-12-24-19(17)25-30(28,29)16-10-8-15(9-11-16)21(2,3)20(26)27/h4-12H,1-3H3,(H,26,27)(H,23,24,25)