4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide

Systemtic Name: 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide Openeye Name: 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide CAS Name: 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-N-(3-methoxy-2-pyrazinyl)benzenesulfonamide IUPAC Name: 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide Traditional Name: 4-[(5,7-dinitrobenzofurazan-4-yl)amino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide Formula: C17H12N8O8S MolecularWeight: 488.39098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C4=NON=C34)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C4=NON=C34)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N8O8S/c1-32-17-16(18-6-7-19-17)23-34(30,31)10-4-2-9(3-5-10)20-13-11(24(26)27)8-12(25(28)29)14-15(13)22-33-21-14/h2-8,20H,1H3,(H,18,23)