N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-17(26)18-10-11-22(30-2)19(14-18)15-23(27)24-20-8-7-9-21(16-20)31(28,29)25-12-5-3-4-6-13-25/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,24,27)