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

Systemtic Name: N-[(2S)-1-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[(1S)-2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]-2-fluoro-benzenesulfonamide CAS Name: N-[(2S)-1-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide IUPAC Name: N-[(2S)-1-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide Traditional Name: N-[(1S)-2-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]-2-fluoro-benzenesulfonamide Formula: C21H24FN4O3S+ MolecularWeight: 431.503663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H23FN4O3S/c1-16(24-30(28,29)20-5-3-2-4-19(20)22)21(27)26-12-10-25(11-13-26)15-18-8-6-17(14-23)7-9-18/h2-9,16,24H,10-13,15H2,1H3/p+1/t16-/m0/s1