N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O7S/c1-10-7-13(20(24)25)9-16(11(10)2)28(26,27)18-15-8-12(19(22)23)3-4-14(15)17-5-6-21/h3-4,7-9,17-18,21H,5-6H2,1-2H3