N4,N4-diethyl-N1-[2-(2-hydroxyethylamino)-5-nitro-phenyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[2-(2-hydroxyethylamino)-5-nitro-phenyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[2-(2-hydroxyethylamino)-5-nitro-phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[2-(2-hydroxyethylamino)-5-nitrophenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[2-(2-hydroxyethylamino)-5-nitrophenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]benzene-1,4-disulfonamide Formula: C18H24N4O7S2 MolecularWeight: 472.53576

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C18H24N4O7S2/c1-3-21(4-2)31(28,29)16-8-6-15(7-9-16)30(26,27)20-18-13-14(22(24)25)5-10-17(18)19-11-12-23/h5-10,13,19-20,23H,3-4,11-12H2,1-2H3