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

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

Systemtic Name:1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonylazepane
Openeye Name:1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonylazepane
CAS Name:1-[4-(2-methoxyphenoxy)-3-nitrophenyl]sulfonylazepane
IUPAC Name:1-[4-(2-methoxyphenoxy)-3-nitrophenyl]sulfonylazepane
Traditional Name:1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonylazepane
Formula: C19H22N2O6S
MolecularWeight: 406.45278
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]


Isomeric SMILES

COC1=CC=CC=C1OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]


InChI

InChI=1S/C19H22N2O6S/c1-26-18-8-4-5-9-19(18)27-17-11-10-15(14-16(17)21(22)23)28(24,25)20-12-6-2-3-7-13-20/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3


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