1-[4-[3,4-bis(fluoranyl)phenoxy]-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-[3,4-bis(fluoranyl)phenoxy]-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(3,4-difluorophenoxy)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-(3,4-difluorophenoxy)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(3,4-difluorophenoxy)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(3,4-difluorophenoxy)-3-nitro-phenyl]sulfonylazepane Formula: C18H18F2N2O5S MolecularWeight: 412.407726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F2N2O5S/c19-15-7-5-13(11-16(15)20)27-18-8-6-14(12-17(18)22(23)24)28(25,26)21-9-3-1-2-4-10-21/h5-8,11-12H,1-4,9-10H2