N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide Formula: C20H30ClN4O4S+ MolecularWeight: 457.9946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C20H29ClN4O4S/c1-16(26)24-12-10-23(11-13-24)15-20(27)22-19-14-17(6-7-18(19)21)30(28,29)25-8-4-2-3-5-9-25/h6-7,14H,2-5,8-13,15H2,1H3,(H,22,27)/p+1