sodium N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]cyclohexanecarboximidate

Systemtic Name: sodium N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]cyclohexanecarboximidate Openeye Name: sodium N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)-3-pyridyl]cyclohexanecarboximidate CAS Name: sodium N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboximidate IUPAC Name: sodium N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]cyclohexanecarboximidate Traditional Name: sodium N-[2-(esylamino)-5-(trifluoromethyl)-3-pyridyl]cyclohexanecarboximidate Formula: C15H19F3N3NaO3S MolecularWeight: 401.37964

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)N=C(C2CCCCC2)[O-].[Na+]

Isomeric SMILES

CCS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)N=C(C2CCCCC2)[O-].[Na+]

InChI

InChI=1S/C15H20F3N3O3S.Na/c1-2-25(23,24)21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10;/h8-10H,2-7H2,1H3,(H,19,21)(H,20,22);/q;+1/p-1