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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-ethanoylphenoxy)ethanamide Openeye Name: 2-(4-acetylphenoxy)-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide CAS Name: 2-(4-acetylphenoxy)-N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]acetamide IUPAC Name: 2-(4-acetylphenoxy)-N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]acetamide Traditional Name: 2-(4-acetylphenoxy)-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-16(26)17-6-8-18(9-7-17)30-15-22(27)24-21-14-19(10-11-20(21)23)31(28,29)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,27)