4-ethanoyl-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide CAS Name: 4-acetyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H26N4O4S/c1-17(26)19-2-4-20(5-3-19)30(28,29)23-11-8-21(27)25-14-12-24(13-15-25)16-18-6-9-22-10-7-18/h2-7,9-10,23H,8,11-16H2,1H3/p+1