1-(4-bromophenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(4-bromophenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-brosyl-1,4-diazepan-4-ium Formula: C11H16BrN2O2S+ MolecularWeight: 320.22594

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H15BrN2O2S/c12-10-2-4-11(5-3-10)17(15,16)14-8-1-6-13-7-9-14/h2-5,13H,1,6-9H2/p+1