N-(6-methoxypyrimidin-4-yl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide

Systemtic Name: N-(6-methoxypyrimidin-4-yl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide Openeye Name: N-(6-methoxypyrimidin-4-yl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide CAS Name: N-(6-methoxy-4-pyrimidinyl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide IUPAC Name: N-(6-methoxypyrimidin-4-yl)-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenesulfonamide Traditional Name: N-(6-methoxypyrimidin-4-yl)-4-[(4-nitrobenzofurazan-5-yl)amino]benzenesulfonamide Formula: C17H13N7O6S MolecularWeight: 443.39342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O6S/c1-29-15-8-14(18-9-19-15)23-31(27,28)11-4-2-10(3-5-11)20-13-7-6-12-16(22-30-21-12)17(13)24(25)26/h2-9,20H,1H3,(H,18,19,23)