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

Systemtic Name: 4-fluoranyl-N-[(2S)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[(1S)-1-methyl-2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-fluoro-N-[(2S)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-oxopropan-2-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[(2S)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxopropan-2-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[(1S)-2-keto-1-methyl-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C(C)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)[C@H](C)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-16-5-3-4-6-18(16)15-24-11-13-25(14-12-24)21(26)17(2)23-29(27,28)20-9-7-19(22)8-10-20/h3-10,17,23H,11-15H2,1-2H3/p+1/t17-/m0/s1