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1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylazepane

1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylazepane

Systemtic Name:1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylazepane
Openeye Name:1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylazepane
CAS Name:1-[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]sulfonylazepane
IUPAC Name:1-[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]sulfonylazepane
Traditional Name:1-[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylazepane
Formula: C20H24N2O6S
MolecularWeight: 420.47936
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC


Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC


InChI

InChI=1S/C20H24N2O6S/c1-15-7-9-19(20(13-15)27-2)28-18-10-8-16(14-17(18)22(23)24)29(25,26)21-11-5-3-4-6-12-21/h7-10,13-14H,3-6,11-12H2,1-2H3


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