1-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-1-methylsulfonyl-N-oxidanyl-piperazin-1-ium-2-carboxamide

Systemtic Name: 1-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-1-methylsulfonyl-N-oxidanyl-piperazin-1-ium-2-carboxamide Openeye Name: 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-methylsulfonyl-piperazin-1-ium-2-carbohydroxamic acid CAS Name: 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-1-methylsulfonyl-2-piperazin-1-iumcarboxamide IUPAC Name: 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-1-methylsulfonylpiperazin-1-ium-2-carboxamide Traditional Name: 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1-mesyl-piperazin-1-ium-2-carbohydroxamic acid Formula: C18H21FN3O7S2+ MolecularWeight: 474.503643

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N+]1(CCNCC1C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)[N+]1(CCNCC1C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O7S2/c1-30(25,26)22(11-10-20-12-17(22)18(23)21-24)31(27,28)16-8-6-15(7-9-16)29-14-4-2-13(19)3-5-14/h2-9,17,20H,10-12H2,1H3,(H-,21,23,24)/p+1