N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]acetamide Formula: C20H26N4O5S2 MolecularWeight: 466.57424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NN=C(O3)C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NN=C(O3)C4CC4

InChI

InChI=1S/C20H26N4O5S2/c1-28-17-9-8-15(31(26,27)24-10-4-2-3-5-11-24)12-16(17)21-18(25)13-30-20-23-22-19(29-20)14-6-7-14/h8-9,12,14H,2-7,10-11,13H2,1H3,(H,21,25)