3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C25H32N4O4S/c1-20(30)28-13-15-29(16-14-28)34(32,33)24-10-6-9-21(17-24)25(31)26-18-22-7-2-3-8-23(22)19-27-11-4-5-12-27/h2-3,6-10,17H,4-5,11-16,18-19H2,1H3,(H,26,31)/p+1