N-(oxan-2-yloxy)-3-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxamide

Systemtic Name: N-(oxan-2-yloxy)-3-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxamide Openeye Name: 3-[(4-phenoxy-1-piperidyl)sulfonyl]-N-tetrahydropyran-2-yloxy-5-(trifluoromethyl)pyrazol-1-ium-4-carboxamide CAS Name: N-(2-oxanyloxy)-3-[(4-phenoxy-1-piperidinyl)sulfonyl]-5-(trifluoromethyl)-4-pyrazol-1-iumcarboxamide IUPAC Name: N-(oxan-2-yloxy)-3-(4-phenoxypiperidin-1-yl)sulfonyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxamide Traditional Name: 3-(4-phenoxypiperidino)sulfonyl-N-tetrahydropyran-2-yloxy-5-(trifluoromethyl)pyrazol-1-ium-4-carboxamide Formula: C21H24F3N4O6S+ MolecularWeight: 517.49867

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)ONC(=O)C2=C(N=[N+]=C2C(F)(F)F)S(=O)(=O)N3CCC(CC3)OC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)ONC(=O)C2=C(N=[N+]=C2C(F)(F)F)S(=O)(=O)N3CCC(CC3)OC4=CC=CC=C4

InChI

InChI=1S/C21H23F3N4O6S/c22-21(23,24)18-17(19(29)27-34-16-8-4-5-13-32-16)20(26-25-18)35(30,31)28-11-9-15(10-12-28)33-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2/p+1