(2-fluorophenyl)-[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfonyl-azanide

Systemtic Name: (2-fluorophenyl)-[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfonyl-azanide Openeye Name: (2-fluorophenyl)-[4-[4-(2-furylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfonyl-azanide CAS Name: (2-fluorophenyl)-[4-[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (2-fluorophenyl)-[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfonylazanide Traditional Name: (2-fluorophenyl)-[4-[4-(2-furfuryl)piperazin-4-ium-1-carbonyl]phenyl]sulfonyl-azanide Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC=C(C=C3)S(=O)(=O)[N-]C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC=C(C=C3)S(=O)(=O)[N-]C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN3O4S/c23-20-5-1-2-6-21(20)24-31(28,29)19-9-7-17(8-10-19)22(27)26-13-11-25(12-14-26)16-18-4-3-15-30-18/h1-10,15H,11-14,16H2/q-1/p+1