N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-ethanoylpiperazin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-ethanoylpiperazin-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazinyl)-N-[4-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-(4-acetylpiperazino)-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N4O4S/c1-17(25)23-14-12-22(13-15-23)16-20(26)21-18-6-8-19(9-7-18)29(27,28)24-10-4-2-3-5-11-24/h6-9H,2-5,10-16H2,1H3,(H,21,26)