3-(3-bromophenyl)-5-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-bromophenyl)-5-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-(3-bromophenyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-3-(3-bromophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-(3-bromophenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-besylpiperazino)methyl]-3-(3-bromophenyl)-1,2,4-oxadiazole Formula: C19H19BrN4O3S MolecularWeight: 463.34816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19BrN4O3S/c20-16-6-4-5-15(13-16)19-21-18(27-22-19)14-23-9-11-24(12-10-23)28(25,26)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2