1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-nitro-phenyl]sulfonylpyrrolidine Formula: C18H18N2O6S2 MolecularWeight: 422.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H18N2O6S2/c21-20(22)13-3-6-17(18(11-13)28(23,24)19-7-1-2-8-19)27-14-4-5-15-16(12-14)26-10-9-25-15/h3-6,11-12H,1-2,7-10H2