3,4-dimethyl-5-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[3-(2-methyl-4-pyrimidinyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]benzoic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C)C

InChI

InChI=1S/C20H19N3O4S/c1-12-9-16(20(24)25)11-19(13(12)2)28(26,27)23-17-6-4-5-15(10-17)18-7-8-21-14(3)22-18/h4-11,23H,1-3H3,(H,24,25)