1-[4-(2-ethoxyphenoxy)-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-(2-ethoxyphenoxy)-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(2-ethoxyphenoxy)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-(2-ethoxyphenoxy)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(2-ethoxyphenoxy)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(2-ethoxyphenoxy)-3-nitro-phenyl]sulfonylazepane Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6S/c1-2-27-19-9-5-6-10-20(19)28-18-12-11-16(15-17(18)22(23)24)29(25,26)21-13-7-3-4-8-14-21/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3