N-oxidanyl-3-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxamide

Systemtic Name: N-oxidanyl-3-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxamide Openeye Name: 3-[(4-phenoxy-1-piperidyl)sulfonyl]-5-(trifluoromethyl)pyrazol-1-ium-4-carbohydroxamic acid CAS Name: N-hydroxy-3-[(4-phenoxy-1-piperidinyl)sulfonyl]-5-(trifluoromethyl)-4-pyrazol-1-iumcarboxamide IUPAC Name: N-hydroxy-3-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxamide Traditional Name: 3-(4-phenoxypiperidino)sulfonyl-5-(trifluoromethyl)pyrazol-1-ium-4-carbohydroxamic acid Formula: C16H16F3N4O5S+ MolecularWeight: 433.38225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC=C2)S(=O)(=O)C3=C(C(=[N+]=N3)C(F)(F)F)C(=O)NO

Isomeric SMILES

C1CN(CCC1OC2=CC=CC=C2)S(=O)(=O)C3=C(C(=[N+]=N3)C(F)(F)F)C(=O)NO

InChI

InChI=1S/C16H15F3N4O5S/c17-16(18,19)13-12(14(24)22-25)15(21-20-13)29(26,27)23-8-6-11(7-9-23)28-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H-,20,21,22,24,25)/p+1