3-nitro-4-(2-oxidanylpropylamino)benzenesulfonamide

Systemtic Name: 3-nitro-4-(2-oxidanylpropylamino)benzenesulfonamide Openeye Name: 4-(2-hydroxypropylamino)-3-nitro-benzenesulfonamide CAS Name: 4-(2-hydroxypropylamino)-3-nitrobenzenesulfonamide IUPAC Name: 4-(2-hydroxypropylamino)-3-nitrobenzenesulfonamide Traditional Name: 4-(2-hydroxypropylamino)-3-nitro-benzenesulfonamide Formula: C9H13N3O5S MolecularWeight: 275.28162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])O

Isomeric SMILES

CC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])O

InChI

InChI=1S/C9H13N3O5S/c1-6(13)5-11-8-3-2-7(18(10,16)17)4-9(8)12(14)15/h2-4,6,11,13H,5H2,1H3,(H2,10,16,17)