N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylphenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylphenoxy)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O4S/c1-17-7-12-21(18(2)15-17)28-16-22(25)23-19-8-10-20(11-9-19)29(26,27)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)