N-(2-fluorophenyl)-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-fluorophenyl)-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-fluorophenyl)-3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(2-fluorophenyl)-3-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(2-fluorophenyl)-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-fluorophenyl)-3-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C24H30FN4O4S+ MolecularWeight: 489.582803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C24H29FN4O4S/c25-21-9-2-3-10-22(21)26-34(32,33)20-8-6-7-19(17-20)24(31)29-15-13-27(14-16-29)18-23(30)28-11-4-1-5-12-28/h2-3,6-10,17,26H,1,4-5,11-16,18H2/p+1