N-(3-methylbutyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(3-methylbutyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-isopentyl-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-(3-methylbutyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-(3-methylbutyl)-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-isoamyl-3-nitro-benzenesulfonamide Formula: C11H16N2O5S MolecularWeight: 288.32014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O5S/c1-8(2)5-6-12-19(17,18)9-3-4-11(14)10(7-9)13(15)16/h3-4,7-8,12,14H,5-6H2,1-2H3