N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-(2,2,2-trifluoroethoxy)nicotinamide Formula: C21H24F3N3O5S MolecularWeight: 487.49257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CN=C(C=C3)OCC(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CN=C(C=C3)OCC(F)(F)F

InChI

InChI=1S/C21H24F3N3O5S/c1-31-18-8-7-16(33(29,30)27-10-4-2-3-5-11-27)12-17(18)26-20(28)15-6-9-19(25-13-15)32-14-21(22,23)24/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,26,28)