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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]acetamide Formula: C21H33N4O5S+ MolecularWeight: 453.57552

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O5S/c1-17(26)24-13-11-23(12-14-24)16-21(27)22-19-15-18(7-8-20(19)30-2)31(28,29)25-9-5-3-4-6-10-25/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,22,27)/p+1