4-azanyl-3,5-dinitro-N-propyl-benzenesulfonamide

Systemtic Name: 4-azanyl-3,5-dinitro-N-propyl-benzenesulfonamide Openeye Name: 4-amino-3,5-dinitro-N-propyl-benzenesulfonamide CAS Name: 4-amino-3,5-dinitro-N-propylbenzenesulfonamide IUPAC Name: 4-amino-3,5-dinitro-N-propylbenzenesulfonamide Traditional Name: 4-amino-3,5-dinitro-N-propyl-benzenesulfonamide Formula: C9H12N4O6S MolecularWeight: 304.27978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O6S/c1-2-3-11-20(18,19)6-4-7(12(14)15)9(10)8(5-6)13(16)17/h4-5,11H,2-3,10H2,1H3