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

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(nosylamino)benzenesulfonamide Formula: C18H17N5O6S2 MolecularWeight: 463.48748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N5O6S2/c1-12-11-13(2)20-18(19-12)22-31(28,29)16-7-3-14(4-8-16)21-30(26,27)17-9-5-15(6-10-17)23(24)25/h3-11,21H,1-2H3,(H,19,20,22)