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

Systemtic Name: 4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(furan-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(2-furylmethyl)benzenesulfonamide CAS Name: 4-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(2-furanylmethyl)benzenesulfonamide IUPAC Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-N-(2-furfuryl)benzenesulfonamide Formula: C24H27FN3O5S+ MolecularWeight: 488.551683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4)F

InChI

InChI=1S/C24H26FN3O5S/c1-32-23-9-4-18(15-22(23)25)17-27-10-12-28(13-11-27)24(29)19-5-7-21(8-6-19)34(30,31)26-16-20-3-2-14-33-20/h2-9,14-15,26H,10-13,16-17H2,1H3/p+1