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

Systemtic Name: 4-fluoranyl-N-[(2S)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[(1S)-1-methyl-2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-fluoro-N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[(1S)-2-keto-1-methyl-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Formula: C19H24FN4O3S+ MolecularWeight: 407.482263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN4O3S/c1-15(22-28(26,27)18-4-2-17(20)3-5-18)19(25)24-12-10-23(11-13-24)14-16-6-8-21-9-7-16/h2-9,15,22H,10-14H2,1H3/p+1/t15-/m0/s1