3-(azepan-1-ylcarbonyl)-N-(3-ethanoylphenyl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(3-ethanoylphenyl)-4-methoxy-benzenesulfonamide Openeye Name: N-(3-acetylphenyl)-3-(azepane-1-carbonyl)-4-methoxy-benzenesulfonamide CAS Name: N-(3-acetylphenyl)-3-[1-azepanyl(oxo)methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-(3-acetylphenyl)-3-(azepane-1-carbonyl)-4-methoxybenzenesulfonamide Traditional Name: N-(3-acetylphenyl)-3-(azepane-1-carbonyl)-4-methoxy-benzenesulfonamide Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-16(25)17-8-7-9-18(14-17)23-30(27,28)19-10-11-21(29-2)20(15-19)22(26)24-12-5-3-4-6-13-24/h7-11,14-15,23H,3-6,12-13H2,1-2H3