1-(5-bromanyl-2-methyl-4-methylsulfonyl-phenyl)-1,4-diazepane

Systemtic Name: 1-(5-bromanyl-2-methyl-4-methylsulfonyl-phenyl)-1,4-diazepane Openeye Name: 1-(5-bromo-2-methyl-4-methylsulfonyl-phenyl)-1,4-diazepane CAS Name: 1-(5-bromo-2-methyl-4-methylsulfonylphenyl)-1,4-diazepane IUPAC Name: 1-(5-bromo-2-methyl-4-methylsulfonylphenyl)-1,4-diazepane Traditional Name: 1-(5-bromo-4-mesyl-2-methyl-phenyl)-1,4-diazepane Formula: C13H19BrN2O2S MolecularWeight: 347.27116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2CCCNCC2)Br)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1N2CCCNCC2)Br)S(=O)(=O)C

InChI

InChI=1S/C13H19BrN2O2S/c1-10-8-13(19(2,17)18)11(14)9-12(10)16-6-3-4-15-5-7-16/h8-9,15H,3-7H2,1-2H3