1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-phenyl]sulfonylazepane Formula: C20H22N2O7S MolecularWeight: 434.46288

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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)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c23-22(24)17-14-16(30(25,26)21-9-3-1-2-4-10-21)6-8-18(17)29-15-5-7-19-20(13-15)28-12-11-27-19/h5-8,13-14H,1-4,9-12H2