2-fluoranyl-N-[(2R)-1-oxidanylidene-3-phenyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide

Systemtic Name: 2-fluoranyl-N-[(2R)-1-oxidanylidene-3-phenyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: N-[(1R)-1-benzyl-2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-2-fluoro-benzenesulfonamide CAS Name: 2-fluoro-N-[(2R)-1-oxo-3-phenyl-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzenesulfonamide IUPAC Name: 2-fluoro-N-[(2R)-1-oxo-3-phenyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Traditional Name: N-[(1R)-1-benzyl-2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-2-fluoro-benzenesulfonamide Formula: C25H28FN4O3S+ MolecularWeight: 483.578223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)[C@@H](CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H27FN4O3S/c26-22-8-4-5-9-24(22)34(32,33)28-23(18-20-6-2-1-3-7-20)25(31)30-16-14-29(15-17-30)19-21-10-12-27-13-11-21/h1-13,23,28H,14-19H2/p+1/t23-/m1/s1