4-fluoranyl-N-[(2S)-6-methylheptan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[(2S)-6-methylheptan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-4-fluoro-3-nitro-benzenesulfonamide CAS Name: 4-fluoro-N-[(2S)-6-methylheptan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-fluoro-N-[(2S)-6-methylheptan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-4-fluoro-3-nitro-benzenesulfonamide Formula: C14H21FN2O4S MolecularWeight: 332.390943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCCC(C)C)NS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C14H21FN2O4S/c1-10(2)5-4-6-11(3)16-22(20,21)12-7-8-13(15)14(9-12)17(18)19/h7-11,16H,4-6H2,1-3H3/t11-/m0/s1