N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-cyano-2-ethoxy-phenoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-cyano-2-ethoxy-phenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-cyano-2-ethoxy-phenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-cyano-2-ethoxyphenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-cyano-2-ethoxyphenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-cyano-2-ethoxy-phenoxy)acetamide Formula: C24H29N3O5S MolecularWeight: 471.56916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29N3O5S/c1-3-31-22-14-19(16-25)9-11-21(22)32-17-24(28)26-20-10-8-18(2)23(15-20)33(29,30)27-12-6-4-5-7-13-27/h8-11,14-15H,3-7,12-13,17H2,1-2H3,(H,26,28)