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

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-(nosylamino)benzenesulfonamide Formula: C18H17N5O8S2 MolecularWeight: 495.48628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N5O8S2/c1-30-17-11-16(19-18(20-17)31-2)22-33(28,29)14-7-3-12(4-8-14)21-32(26,27)15-9-5-13(6-10-15)23(24)25/h3-11,21H,1-2H3,(H,19,20,22)