N-(2,6-dimethylpyrimidin-4-yl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethylpyrimidin-4-yl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonamide Openeye Name: 4-(benzylsulfonylamino)-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide CAS Name: N-(2,6-dimethyl-4-pyrimidinyl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonamide IUPAC Name: 4-(benzylsulfonylamino)-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide Traditional Name: 4-(benzylsulfonylamino)-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4S2/c1-14-12-19(21-15(2)20-14)23-29(26,27)18-10-8-17(9-11-18)22-28(24,25)13-16-6-4-3-5-7-16/h3-12,22H,13H2,1-2H3,(H,20,21,23)