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1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylazepane

1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylazepane

Systemtic Name:1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylazepane
Openeye Name:1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylazepane
CAS Name:1-[4-(1,3-benzodioxol-5-yloxy)-3-nitrophenyl]sulfonylazepane
IUPAC Name:1-[4-(1,3-benzodioxol-5-yloxy)-3-nitrophenyl]sulfonylazepane
Traditional Name:1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylazepane
Formula: C19H20N2O7S
MolecularWeight: 420.4363
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]


InChI

InChI=1S/C19H20N2O7S/c22-21(23)16-12-15(29(24,25)20-9-3-1-2-4-10-20)6-8-17(16)28-14-5-7-18-19(11-14)27-13-26-18/h5-8,11-12H,1-4,9-10,13H2


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