4-ethanoyl-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-acetyl-N-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Formula: C24H25N4O4S+ MolecularWeight: 465.5447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H24N4O4S/c1-18(29)19-7-11-22(12-8-19)33(31,32)26-21-9-5-20(6-10-21)24(30)28-16-14-27(15-17-28)23-4-2-3-13-25-23/h2-13,26H,14-17H2,1H3/p+1