2-(2-bromophenyl)-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3,4-oxadiazole

Systemtic Name: 2-(2-bromophenyl)-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(2-bromophenyl)-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(2-bromophenyl)-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(2-bromophenyl)-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(2-bromophenyl)-5-[(4-mesyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C15H20BrN4O3S+ MolecularWeight: 416.3133

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC[NH+](CC1)CC2=NN=C(O2)C3=CC=CC=C3Br

Isomeric SMILES

CS(=O)(=O)N1CCC[NH+](CC1)CC2=NN=C(O2)C3=CC=CC=C3Br

InChI

InChI=1S/C15H19BrN4O3S/c1-24(21,22)20-8-4-7-19(9-10-20)11-14-17-18-15(23-14)12-5-2-3-6-13(12)16/h2-3,5-6H,4,7-11H2,1H3/p+1