2-azanyl-N-methyl-5-nitro-benzenesulfonamide; 2-azanyl-5-nitro-benzenesulfonamide

Systemtic Name: 2-azanyl-N-methyl-5-nitro-benzenesulfonamide; 2-azanyl-5-nitro-benzenesulfonamide Openeye Name: 2-amino-N-methyl-5-nitro-benzenesulfonamide; 2-amino-5-nitro-benzenesulfonamide CAS Name: 2-amino-N-methyl-5-nitrobenzenesulfonamide; 2-amino-5-nitrobenzenesulfonamide IUPAC Name: 2-amino-N-methyl-5-nitrobenzenesulfonamide; 2-amino-5-nitrobenzenesulfonamide Traditional Name: 2-amino-N-methyl-5-nitro-benzenesulfonamide; 2-amino-5-nitro-benzenesulfonamide Formula: C13H16N6O8S2 MolecularWeight: 448.43154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N3O4S.C6H7N3O4S/c1-9-15(13,14)7-4-5(10(11)12)2-3-6(7)8;7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h2-4,9H,8H2,1H3;1-3H,7H2,(H2,8,12,13)