2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide CAS Name: N-(4-acetylphenyl)-2-[3-(1-azepanylsulfonyl)anilino]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide Traditional Name: N-(4-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O4S/c1-17(26)18-9-11-19(12-10-18)24-22(27)16-23-20-7-6-8-21(15-20)30(28,29)25-13-4-2-3-5-14-25/h6-12,15,23H,2-5,13-14,16H2,1H3,(H,24,27)