4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-methyl-N-phenyl-benzenesulfonamide Openeye Name: 4-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-N-phenyl-benzenesulfonamide CAS Name: 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-methyl-N-phenylbenzenesulfonamide IUPAC Name: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide Traditional Name: 4-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-N-methyl-N-phenyl-benzenesulfonamide Formula: C26H29FN3O4S+ MolecularWeight: 498.589563

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C26H28FN3O4S/c1-28(23-6-4-3-5-7-23)35(32,33)24-11-8-20(9-12-24)26(31)30-16-14-29(15-17-30)19-21-18-22(27)10-13-25(21)34-2/h3-13,18H,14-17,19H2,1-2H3/p+1