N-(3-fluorophenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(3-fluorophenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(3-fluorophenyl)methanesulfonamide CAS Name: N-(3-fluorophenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3-fluorophenyl)methanesulfonamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC(=CC=C3)F

InChI

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