N-[[(2S)-4-ethyl-2,3-dihydrofuran-2-yl]methyl]-2,4-dinitro-benzenesulfonamide

Systemtic Name: N-[[(2S)-4-ethyl-2,3-dihydrofuran-2-yl]methyl]-2,4-dinitro-benzenesulfonamide Openeye Name: N-[[(2S)-4-ethyl-2,3-dihydrofuran-2-yl]methyl]-2,4-dinitro-benzenesulfonamide CAS Name: N-[[(2S)-4-ethyl-2,3-dihydrofuran-2-yl]methyl]-2,4-dinitrobenzenesulfonamide IUPAC Name: N-[[(2S)-4-ethyl-2,3-dihydrofuran-2-yl]methyl]-2,4-dinitrobenzenesulfonamide Traditional Name: N-[[(2S)-4-ethyl-2,3-dihydrofuran-2-yl]methyl]-2,4-dinitro-benzenesulfonamide Formula: C13H15N3O7S MolecularWeight: 357.3391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=COC(C1)CNS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CO[C@@H](C1)CNS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7S/c1-2-9-5-11(23-8-9)7-14-24(21,22)13-4-3-10(15(17)18)6-12(13)16(19)20/h3-4,6,8,11,14H,2,5,7H2,1H3/t11-/m0/s1