N-(2-azanyl-4-methyl-pentyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(2-azanyl-4-methyl-pentyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-(2-amino-4-methyl-pentyl)-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-(2-amino-4-methylpentyl)-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-(2-amino-4-methylpentyl)-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-(2-amino-4-methyl-pentyl)-4-hydroxy-3-nitro-benzenesulfonamide Formula: C12H19N3O5S MolecularWeight: 317.36136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O5S/c1-8(2)5-9(13)7-14-21(19,20)10-3-4-12(16)11(6-10)15(17)18/h3-4,6,8-9,14,16H,5,7,13H2,1-2H3