N-(2,6-dimethoxypyrimidin-4-yl)-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzenesulfonamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-(4-nitro-1,3-dioxo-2-isoindolyl)benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-(4-nitro-1,3-dioxoisoindol-2-yl)benzenesulfonamide Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide Formula: C20H15N5O8S MolecularWeight: 485.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H15N5O8S/c1-32-16-10-15(21-20(22-16)33-2)23-34(30,31)12-8-6-11(7-9-12)24-18(26)13-4-3-5-14(25(28)29)17(13)19(24)27/h3-10H,1-2H3,(H,21,22,23)