4-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3-fluoro-4-methoxy-phenyl)methyl]-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(3-fluoro-4-methoxy-benzyl)-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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