N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetamide 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)CN3C=C(C=CC3=O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C=C(C=CC3=O)C(F)(F)F

InChI

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