N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-ethanoylphenoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-ethanoylphenoxy)ethanamide Openeye Name: 2-(4-acetylphenoxy)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide CAS Name: 2-(4-acetylphenoxy)-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]acetamide IUPAC Name: 2-(4-acetylphenoxy)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]acetamide Traditional Name: 2-(4-acetylphenoxy)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)C)S(=O)(=O)N3CCCCCC3

InChI

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