N1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-N4,N4-dimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-N,4-N-dimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-[2-(2,2-dimethylcoumaran-7-yl)oxyethyl]-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C20H25N3O8S2 MolecularWeight: 499.5578

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCCNS(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCCNS(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)N(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O8S2/c1-20(2)13-14-6-5-7-17(19(14)31-20)30-11-10-21-32(26,27)18-9-8-15(12-16(18)23(24)25)33(28,29)22(3)4/h5-9,12,21H,10-11,13H2,1-4H3