3-bromanyl-3-iodanyl-1-(4-methylphenyl)sulfonyl-azepane

Systemtic Name: 3-bromanyl-3-iodanyl-1-(4-methylphenyl)sulfonyl-azepane Openeye Name: 3-bromo-3-iodo-1-(p-tolylsulfonyl)azepane CAS Name: 3-bromo-3-iodo-1-(4-methylphenyl)sulfonylazepane IUPAC Name: 3-bromo-3-iodo-1-(4-methylphenyl)sulfonylazepane Traditional Name: 3-bromo-3-iodo-1-tosyl-azepane Formula: C13H17BrINO2S MolecularWeight: 458.15305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2)(Br)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2)(Br)I

InChI

InChI=1S/C13H17BrINO2S/c1-11-4-6-12(7-5-11)19(17,18)16-9-3-2-8-13(14,15)10-16/h4-7H,2-3,8-10H2,1H3