5-[5-(azepan-1-ylsulfonyl)furan-2-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[5-(azepan-1-ylsulfonyl)furan-2-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[5-(azepan-1-ylsulfonyl)-2-furyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[5-(1-azepanylsulfonyl)-2-furanyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[5-(azepan-1-ylsulfonyl)furan-2-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[5-(azepan-1-ylsulfonyl)-2-furyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=C(O3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=C(O3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C20H23N3O6S/c1-26-15-8-7-14(13-17(15)27-2)19-21-20(29-22-19)16-9-10-18(28-16)30(24,25)23-11-5-3-4-6-12-23/h7-10,13H,3-6,11-12H2,1-2H3