2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H26N4O4S/c1-15(23)21-12-10-20(11-13-21)14-18(24)19-16-4-6-17(7-5-16)27(25,26)22-8-2-3-9-22/h4-7H,2-3,8-14H2,1H3,(H,19,24)/p+1