5-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-benzenesulfonamide

Systemtic Name: 5-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-benzenesulfonamide Openeye Name: 5-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methylbenzenesulfonamide Traditional Name: 5-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-2-methyl-benzenesulfonamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F)S(=O)(=O)N

InChI

InChI=1S/C20H24FN3O4S/c1-14-3-5-16(12-19(14)29(22,26)27)20(25)24-9-7-23(8-10-24)13-15-4-6-18(28-2)17(21)11-15/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,26,27)/p+1