2-[3-(azepan-1-ylsulfonyl)phenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole Openeye Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole CAS Name: 2-[3-(1-azepanylsulfonyl)phenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole Traditional Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O3S/c21-17-10-8-15(9-11-17)19-22-23-20(27-19)16-6-5-7-18(14-16)28(25,26)24-12-3-1-2-4-13-24/h5-11,14H,1-4,12-13H2