2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)acetamide Formula: C22H34N5O5S+ MolecularWeight: 480.60086

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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)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C22H33N5O5S/c1-18(28)25-10-8-24(9-11-25)17-22(29)23-20-16-19(4-5-21(20)26-6-2-3-7-26)33(30,31)27-12-14-32-15-13-27/h4-5,16H,2-3,6-15,17H2,1H3,(H,23,29)/p+1