3-chloranyl-3-iodanyl-4,4-dimethyl-1-(4-methylphenyl)sulfonyl-azepane

Systemtic Name: 3-chloranyl-3-iodanyl-4,4-dimethyl-1-(4-methylphenyl)sulfonyl-azepane Openeye Name: 3-chloro-3-iodo-4,4-dimethyl-1-(p-tolylsulfonyl)azepane CAS Name: 3-chloro-3-iodo-4,4-dimethyl-1-(4-methylphenyl)sulfonylazepane IUPAC Name: 3-chloro-3-iodo-4,4-dimethyl-1-(4-methylphenyl)sulfonylazepane Traditional Name: 3-chloro-3-iodo-4,4-dimethyl-1-tosyl-azepane Formula: C15H21ClINO2S MolecularWeight: 441.75521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C(C2)(Cl)I)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C(C2)(Cl)I)(C)C

InChI

InChI=1S/C15H21ClINO2S/c1-12-5-7-13(8-6-12)21(19,20)18-10-4-9-14(2,3)15(16,17)11-18/h5-8H,4,9-11H2,1-3H3