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

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)-4-bromanyl-phenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-bromo-phenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole CAS Name: 2-[3-(1-azepanylsulfonyl)-4-bromophenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-bromophenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-bromo-phenyl]-5-(4-bromophenyl)-1,3,4-oxadiazole Formula: C20H19Br2N3O3S MolecularWeight: 541.25616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Br2N3O3S/c21-16-8-5-14(6-9-16)19-23-24-20(28-19)15-7-10-17(22)18(13-15)29(26,27)25-11-3-1-2-4-12-25/h5-10,13H,1-4,11-12H2