4-ethanoyl-N-[4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-acetyl-N-[4-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C25H31N4O5S+ MolecularWeight: 499.60244

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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)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C25H30N4O5S/c1-19(30)20-6-10-23(11-7-20)35(33,34)26-22-8-4-21(5-9-22)25(32)29-16-14-27(15-17-29)18-24(31)28-12-2-3-13-28/h4-11,26H,2-3,12-18H2,1H3/p+1