N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2,6-dimethoxyphenoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2,6-dimethoxyphenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2,6-dimethoxyphenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(2,6-dimethoxyphenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2,6-dimethoxyphenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2,6-dimethoxyphenoxy)acetamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O6S/c1-28-19-11-8-12-20(29-2)22(19)30-16-21(25)23-17-9-7-10-18(15-17)31(26,27)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)