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

Systemtic Name: 4-fluoranyl-N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-4-fluoro-benzenesulfonamide CAS Name: 4-fluoro-N-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzenesulfonamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-4-fluoro-benzenesulfonamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O3S/c1-16(22-28(26,27)19-9-7-18(21)8-10-19)20(25)24-13-11-23(12-14-24)15-17-5-3-2-4-6-17/h2-10,16,22H,11-15H2,1H3/p+1/t16-/m0/s1