4-ethanoyl-N-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 4-acetyl-N-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]benzenesulfonamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H24N4O4S/c1-16(25)17-5-7-18(8-6-17)29(27,28)22-11-9-20(26)24-14-12-23(13-15-24)19-4-2-3-10-21-19/h2-8,10,22H,9,11-15H2,1H3/p+1