1-[4-(3-fluoranylphenoxy)-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-(3-fluoranylphenoxy)-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(3-fluorophenoxy)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-(3-fluorophenoxy)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(3-fluorophenoxy)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(3-fluorophenoxy)-3-nitro-phenyl]sulfonylazepane Formula: C18H19FN2O5S MolecularWeight: 394.417263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O5S/c19-14-6-5-7-15(12-14)26-18-9-8-16(13-17(18)21(22)23)27(24,25)20-10-3-1-2-4-11-20/h5-9,12-13H,1-4,10-11H2