N,N-diethyl-4-(4-methylsulfonyl-2-nitro-phenoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(4-methylsulfonyl-2-nitro-phenoxy)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(4-methylsulfonyl-2-nitro-phenoxy)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-(4-methylsulfonyl-2-nitrophenoxy)-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(4-methylsulfonyl-2-nitrophenoxy)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(4-mesyl-2-nitro-phenoxy)-3-nitro-benzenesulfonamide Formula: C17H19N3O9S2 MolecularWeight: 473.47746

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O9S2/c1-4-18(5-2)31(27,28)13-7-9-17(15(11-13)20(23)24)29-16-8-6-12(30(3,25)26)10-14(16)19(21)22/h6-11H,4-5H2,1-3H3