N-(3-azanylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-azanylpropyl)-3-nitro-benzenesulfonamide Openeye Name: N-(3-aminopropyl)-3-nitro-benzenesulfonamide CAS Name: N-(3-aminopropyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3-aminopropyl)-3-nitrobenzenesulfonamide Traditional Name: N-(3-aminopropyl)-3-nitro-benzenesulfonamide Formula: C9H13N3O4S MolecularWeight: 259.28222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O4S/c10-5-2-6-11-17(15,16)9-4-1-3-8(7-9)12(13)14/h1,3-4,7,11H,2,5-6,10H2