1-(4-methylsulfonylphenyl)-1,4-diazepane hydrobromide

Systemtic Name: 1-(4-methylsulfonylphenyl)-1,4-diazepane hydrobromide Openeye Name: 1-(4-methylsulfonylphenyl)-1,4-diazepane hydrobromide CAS Name: 1-(4-methylsulfonylphenyl)-1,4-diazepane hydrobromide IUPAC Name: 1-(4-methylsulfonylphenyl)-1,4-diazepane hydrobromide Traditional Name: 1-(4-mesylphenyl)-1,4-diazepane hydrobromide Formula: C12H19BrN2O2S MolecularWeight: 335.26046

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCCNCC2.Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCCNCC2.Br

InChI

InChI=1S/C12H18N2O2S.BrH/c1-17(15,16)12-5-3-11(4-6-12)14-9-2-7-13-8-10-14;/h3-6,13H,2,7-10H2,1H3;1H