2-bromanyl-N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-4,5-dimethoxy-benzenesulfonamide

Systemtic Name: 2-bromanyl-N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-4,5-dimethoxy-benzenesulfonamide Openeye Name: 2-bromo-N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-4,5-dimethoxy-benzenesulfonamide CAS Name: 2-bromo-N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-4,5-dimethoxybenzenesulfonamide IUPAC Name: 2-bromo-N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-4,5-dimethoxybenzenesulfonamide Traditional Name: 2-bromo-N-[2-(2-hydroxyethylamino)-5-nitro-phenyl]-4,5-dimethoxy-benzenesulfonamide Formula: C16H18BrN3O7S MolecularWeight: 476.29902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C16H18BrN3O7S/c1-26-14-8-11(17)16(9-15(14)27-2)28(24,25)19-13-7-10(20(22)23)3-4-12(13)18-5-6-21/h3-4,7-9,18-19,21H,5-6H2,1-2H3