1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitro-phenyl]sulfonylpyrrolidine Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S2/c22-21(23)16-13-15(29(24,25)20-8-1-2-9-20)5-7-19(16)28-14-4-6-17-18(12-14)27-11-3-10-26-17/h4-7,12-13H,1-3,8-11H2