1-(4-bromanyl-3-methoxy-phenyl)sulfonylazepane

Systemtic Name: 1-(4-bromanyl-3-methoxy-phenyl)sulfonylazepane Openeye Name: 1-(4-bromo-3-methoxy-phenyl)sulfonylazepane CAS Name: 1-(4-bromo-3-methoxyphenyl)sulfonylazepane IUPAC Name: 1-(4-bromo-3-methoxyphenyl)sulfonylazepane Traditional Name: 1-(4-bromo-3-methoxy-phenyl)sulfonylazepane Formula: C13H18BrNO3S MolecularWeight: 348.25592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Br

InChI

InChI=1S/C13H18BrNO3S/c1-18-13-10-11(6-7-12(13)14)19(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3