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

Systemtic Name: 1-[4-(3-methoxyphenoxy)-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(3-methoxyphenoxy)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-(3-methoxyphenoxy)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(3-methoxyphenoxy)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(3-methoxyphenoxy)-3-nitro-phenyl]sulfonylazepane Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6S/c1-26-15-7-6-8-16(13-15)27-19-10-9-17(14-18(19)21(22)23)28(24,25)20-11-4-2-3-5-12-20/h6-10,13-14H,2-5,11-12H2,1H3