N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-cyanophenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-cyanophenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-cyanophenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(4-cyanophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-cyanophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-cyanophenoxy)acetamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22ClN3O4S/c22-19-10-9-18(30(27,28)25-11-3-1-2-4-12-25)13-20(19)24-21(26)15-29-17-7-5-16(14-23)6-8-17/h5-10,13H,1-4,11-12,15H2,(H,24,26)